A0A087YFC4_POEFO Loading...

Transitional endoplasmic reticulum ATPase

AlphaFold DB , UniProt , Accession A0A087YFC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 806 aa.

						>A0A087YFC4_POEFO|A0A087YFC4
MASGGESKNDDLQTAILKQKSRPNRLIVDESINEDNSVVSLSQAKMDELQLFRGDTVLMKGKKRRETVCIVLSDDTCSDEKVRMNRVVRNNLRVRLGDVISIQPCPDVKYGKRIHVLPIDDTVEGITGNLFEVYLKPYFLEAYRPIRKGDIFLVRGGMRAVEFKVVETDPSPYCIVAPDTVIHCEGEPIRREDEEESLNEVGYDDIGGVRKQLAQIKEMVELPLRHPALFKAIGVKPPRGILLYGPPGTGKTLIARAVANETGAFFFLINGPEIMSKLAGESESNLRKAFEEAEKNAPAIIFIDELDAIAPKREKTHGEVERRIVSQLLTLMDGLKQRAHVIVMAATNRPNSIDPALRRFGRFDREVDIGIPDATGRLEILQIHTKNMKLADDVDLEQVANETHGHVGADLAALCSEAALQAIRKKMDLIDLEDETIDAEVMNSLAVTMDDFKWALSQSNPSALRETVVEVPNITWDDIGGLEDVKRELQELVQYPVEHPDKFLKFGMTPSKGVLFYGPPGCGKTLLAKAIANECQANFISIKGPELLTMWFGESEANVREIFDKARQAAPCVLFFDELDSIAKARGGNVGDGGGAADRVINQILTEMDGMSSKKNVFIIGATNRPDIIDPAILRPGRLDQLIYIPLPDEKSRISILKANLRKSPISKDVDLDFLAKMTNGFSGADLTEICQRACKLAIRESIENEIRRERERQTNPSAMEVEEDDPVPEIRKDHFEEAMRFARRSVSDNDIRKYEMFAQTLQQSRGFGSFRFPSSAAGGSGPSHSSGGTGSGPVFNEDNDDDLYG
					

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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	35.9	Very low	36.6	Very low	240 Å²	240	132.1 Å²	132.1	100%	1.182	80%	0.8	S	S	*	*				0	92.6	0	-67.4	177.5	-177.8	0	0	105.5
2	A	34.7	Very low	38	Very low	98 Å²	98	134 Å²	134	81%	0.81	80%	0.801	S	S	*	*				62.7	127.1	97.4	0	0	0	0	0	111.2
3	S	34.3	Very low	38.8	Very low	117 Å²	117	137.2 Å²	137.2	82%	0.818	80%	0.802	S	S	*	*			cis	176.2	151.1	11.6	42.4	0	0	0	0	109.3
4	G	29.8	Very low	39.2	Very low	79 Å²	79	131.8 Å²	131.8	81%	0.814	77%	0.772	S	S	*	*			trans	97.3	106.5	158.2	0	0	0	0	0	114.1
5	G	31.8	Very low	39.6	Very low	77 Å²	77	126.7 Å²	126.7	79%	0.794	75%	0.751	S	S	*	*				90.6	107.7	69.9	0	0	0	0	0	106.8
6	E	31.7	Very low	39.8	Very low	177 Å²	177	128.8 Å²	128.8	83%	0.827	76%	0.755	S	S	*	*				-151.5	125.4	73	-77.2	172	160	0	0	111.3	K8	E6-K8 PolarHBondContact O-N 3.09Å; E6-K8 VanDerWaalsContact O-N 3.17Å
7	S	39.9	Very low	39.9	Very low	111 Å²	111	129.7 Å²	129.7	78%	0.776	76%	0.756	S	S	*	*			trans	-67.4	102.9	154.7	55	0	0	0	0	107.9	N9	S7-N9 VanDerWaalsContact C-N 3.3Å; S7-N9 PolarHBondContact O-N 2.91Å
8	K	40.1	Very low	40	Very low	183 Å²	183	130.3 Å²	130.3	80%	0.796	75%	0.747	S	S	*	*			trans	-65.8	99	162.6	-84.1	-176.8	176.6	177	0	107.3	E6 D10	E6-K8 PolarHBondContact O-N 3.09Å; E6-K8 VanDerWaalsContact O-N 3.17Å; K8-D10 PolarHBondContact O-N 3.41Å
9	N	38.9	Very low	40.3	Very low	142 Å²	142	133.4 Å²	133.4	76%	0.759	76%	0.755	S	S	*	*			trans	-52.2	96.5	154.6	-91.4	-19.3	0	0	0	106.6	S7 D11	S7-N9 VanDerWaalsContact C-N 3.3Å; S7-N9 PolarHBondContact O-N 2.91Å; N9-D11 PolarHBondContact O-N 2.73Å; N9-D11 VanDerWaalsContact O-N 3.08Å
10	D	43.3	Very low	40.6	Very low	127 Å²	127	136.5 Å²	136.5	68%	0.679	76%	0.759	S	S	*	*			trans	-61.2	109	158.2	-102.4	-25.7	0	0	0	105.7	K8 L12	K8-D10 PolarHBondContact O-N 3.41Å; D10-L12 VanDerWaalsContact C-N 3.33Å; D10-L12 PolarHBondContact O-N 3.42Å
11	D	42.1	Very low	41.7	Very low	102 Å²	102	135.1 Å²	135.1	55%	0.545	76%	0.759	S	S	.	*			trans	-56.7	95.9	175.8	-93.5	-31	0	0	0	109.5	N9 Q13 T14 A15	N9-D11 PolarHBondContact O-N 2.73Å; N9-D11 VanDerWaalsContact O-N 3.08Å; D11-Q13 PolarHBondContact O-N 3.2Å; D11-T14 PolarHBondContact O-N 2.98Å; D11-T14 PolarHBondContact O-OG1 2.66Å; D11-A15 PolarHBondContact O-N 2.83Å
12	L	53.7	Low	43.9	Very low	155 Å²	155	131.7 Å²	131.7	81%	0.812	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	-21.5	170.8	-76.5	158.8	0	0	0	111.6	D10	D10-L12 VanDerWaalsContact C-N 3.33Å; D10-L12 PolarHBondContact O-N 3.42Å
13	Q	48.4	Very low	46.4	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-23.3	176.2	-65.4	-170.3	-11.7	0	0	114	D11	D11-Q13 PolarHBondContact O-N 3.2Å
14	T	44.4	Very low	49	Very low	62 Å²	62	126 Å²	126	38%	0.38	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.7	-2.9	176.3	61.6	0	0	0	0	113.5	D11 I16 L17 K18	D11-T14 PolarHBondContact O-N 2.98Å; D11-T14 PolarHBondContact O-OG1 2.66Å; T14-I16 PolarHBondContact O-N 2.9Å; T14-L17 WeakPolarHBondContact O-CA 3.49Å; T14-L17 WeakPolarHBondContact O-CB 3.35Å; T14-L17 PolarHBondContact O-N 3.19Å; T14-K18 PolarHBondContact O-N 2.81Å
15	A	44.8	Very low	52	Low	55 Å²	55	129.1 Å²	129.1	46%	0.455	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	-26.6	175.6	0	0	0	0	0	113.2	D11 L17	D11-A15 PolarHBondContact O-N 2.83Å; A15-L17 VanDerWaalsContact C-N 3.31Å
16	I	42.6	Very low	55	Low	160 Å²	160	125.4 Å²	125.4	82%	0.821	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-25	173	-75.6	169.1	0	0	0	112.3	T14	T14-I16 PolarHBondContact O-N 2.9Å
17	L	41.3	Very low	57.9	Low	145 Å²	145	119.8 Å²	119.8	76%	0.759	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-18.9	-180	-68.7	165.5	0	0	0	113.1	T14 A15 Q19	T14-L17 WeakPolarHBondContact O-CA 3.49Å; T14-L17 WeakPolarHBondContact O-CB 3.35Å; T14-L17 PolarHBondContact O-N 3.19Å; A15-L17 VanDerWaalsContact C-N 3.31Å; L17-Q19 PolarHBondContact O-N 2.62Å
18	K	43.1	Very low	60.5	Low	140 Å²	140	114.6 Å²	114.6	61%	0.609	57%	0.571	S	S	*	*	S	Bend	trans	-74.9	91.8	169.1	-73.4	-177.1	-179.2	174.6	0	108.5	T14 K20	T14-K18 PolarHBondContact O-N 2.81Å; K18-K20 PolarHBondContact O-N 3.1Å
19	Q	45.1	Very low	62.9	Low	190 Å²	190	107.4 Å²	107.4	89%	0.888	54%	0.541	S	S	*	.			trans	-56.6	106.7	163.1	-80.1	-172.2	-4.9	0	0	107.5	L17 S21	L17-Q19 PolarHBondContact O-N 2.62Å; Q19-S21 VanDerWaalsContact C-N 3.25Å; Q19-S21 PolarHBondContact O-N 3.41Å
20	K	46.5	Very low	65.1	Low	195 Å²	195	103.3 Å²	103.3	85%	0.848	52%	0.517	S	S	*	.			trans	-61.4	94	167.2	-79.3	-177.5	175.1	-178.9	0	107	K18 R22	K18-K20 PolarHBondContact O-N 3.1Å; K20-R22 PolarHBondContact O-N 2.9Å
21	S	62.8	Low	67.1	Low	107 Å²	107	98.5 Å²	98.5	75%	0.748	49%	0.493	S	S	*	.			trans	-58.7	112.7	166.7	-177.7	0	0	0	0	106.2	Q19	Q19-S21 VanDerWaalsContact C-N 3.25Å; Q19-S21 PolarHBondContact O-N 3.41Å
22	R	82.1	Confident	68.7	Low	169 Å²	169	99.3 Å²	99.3	64%	0.638	50%	0.497	S	S	*	.			trans	-76.4	132.4	176.6	-63.3	-177.8	176.9	177.4	-2.3	106.5	K20 N24 R25	K20-R22 PolarHBondContact O-N 2.9Å; R22-N24 WeakPolarHBondContact CB-OD1 3.4Å; R22-N24 PolarHBondContact O-N 3.21Å; R22-R25 HydrophobicContact CB-CG 4.34Å; R22-R25 PolarHBondContact O-N 2.94Å
23	P	87	Confident	70	Confident	60 Å²	60	94.7 Å²	94.7	39%	0.39	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.3	-174.6	27.2	-36.6	0	0	0	112.2	R25 K45 E48	P23-R25 VanDerWaalsContact C-N 3.29Å; P23-R25 PolarHBondContact O-N 3.21Å; P23-K45 WeakPolarHBondContact O-CE 3.39Å; P23-K45 PolarHBondContact O-NZ 3.5Å; P23-E48 HydrophobicContact CB-CG 4.32Å; P23-E48 WeakPolarHBondContact CB-OE1 3.48Å
24	N	89.4	Confident	71.5	Confident	34 Å²	34	92 Å²	92	18%	0.182	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	6.3	-179.6	79.9	-43.7	0	0	0	114.8	R22 L49 S101 I102	R22-N24 WeakPolarHBondContact CB-OD1 3.4Å; R22-N24 PolarHBondContact O-N 3.21Å; N24-L49 HydrophobicContact CB-CD2 4.2Å; N24-S101 CarbonylContact O-C 3.58Å; N24-S101 WeakPolarHBondContact O-CA 3.26Å; N24-I102 WeakPolarHBondContact CB-O 3.28Å; N24-I102 PolarHBondContact O-N 3.23Å
25	R	93.8	Very high	73.7	Confident	145 Å²	145	91.2 Å²	91.2	55%	0.547	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.4	174.8	-68.2	-171.9	74.2	-174.5	-0.3	109.9	R22 P23 V99 I100	R22-R25 HydrophobicContact CB-CG 4.34Å; R22-R25 PolarHBondContact O-N 2.94Å; P23-R25 VanDerWaalsContact C-N 3.29Å; P23-R25 PolarHBondContact O-N 3.21Å; R25-V99 HydrophobicContact CB-CG1 3.92Å; R25-V99 HydrophobicContact CG-CG1 4.49Å; R25-I100 WeakPolarHBondContact CA-O 3.43Å
26	L	94.4	Very high	76.1	Confident	0 Å²	0	89.5 Å²	89.5	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.3	-173.2	-69.9	174.4	0	0	0	110.8	L41 K45 D79 V82 V99 I100 I102	L26-L41 HydrophobicContact CD1-CD1 4.45Å; L26-L41 HydrophobicContact CD1-CD2 3.41Å; L26-L41 VanDerWaalsContact CD1-CD2 3.41Å; L26-K45 HydrophobicContact CD2-CD 4.36Å; L26-K45 VanDerWaalsContact CD2-CE 3.45Å; L26-K45 HydrophobicContact CD2-CG 4.25Å; L26-D79 WeakPolarHBondContact CD2-O 3.45Å; L26-V82 HydrophobicContact CB-CB 4.12Å; L26-V82 HydrophobicContact CB-CG1 3.76Å; L26-V82 HydrophobicContact CD1-CB 3.99Å; L26-V82 HydrophobicContact CD1-CG1 4.46Å; L26-V99 CarbonylContact O-C 3.52Å; L26-V99 VanDerWaalsContact O-CA 3.32Å; L26-V99 WeakPolarHBondContact O-CA 3.41Å; L26-I100 PolarHBondContact N-O 2.8Å; L26-I100 PolarHBondContact O-N 2.96Å; L26-I102 HydrophobicContact CD1-CG2 3.86Å
27	I	92.8	Very high	78.5	Confident	58 Å²	58	82.2 Å²	82.2	30%	0.297	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.6	176.3	-62.9	166.6	0	0	0	109.2	D29 E80 K81 V82 D98 V99	I27-D29 PolarHBondContact O-N 2.79Å; I27-E80 PolarHBondContact N-O 3.48Å; I27-K81 HydrophobicContact CB-CG 4.26Å; I27-K81 CarbonylContact O-C 3.56Å; I27-K81 WeakPolarHBondContact O-CA 3.5Å; I27-V82 PolarHBondContact O-N 2.82Å; I27-D98 CarbonylContact C-O 3.57Å; I27-D98 WeakPolarHBondContact CA-O 3.47Å; I27-V99 HydrophobicContact CG1-CG2 4.26Å
28	V	93.9	Very high	81.1	Confident	2 Å²	2	75.8 Å²	75.8	1%	0.012	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.4	178.1	176.5	0	0	0	0	110.4	M84 R89 V94 L96 G97 D98 I100	V28-M84 HydrophobicContact CG1-CG 3.8Å; V28-M84 HydrophobicContact CG1-SD 3.86Å; V28-M84 HydrophobicContact CG2-CE 4.05Å; V28-M84 HydrophobicContact CG2-SD 3.98Å; V28-R89 HydrophobicContact CG1-CG 3.86Å; V28-V94 HydrophobicContact CG2-CG2 4.01Å; V28-L96 HydrophobicContact CG1-CD2 4.16Å; V28-G97 PolarHBondContact O-N 3.06Å; V28-D98 WeakPolarHBondContact CG2-O 3.46Å; V28-D98 PolarHBondContact N-O 3.19Å; V28-I100 HydrophobicContact CG2-CB 4.47Å; V28-I100 HydrophobicContact CG2-CG1 4.12Å; V28-I100 HydrophobicContact CG2-CG2 3.62Å
29	D	90.8	Very high	83.7	Confident	32 Å²	32	69.1 Å²	69.1	17%	0.171	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	166.3	175.5	-150.7	-2.7	0	0	0	111.9	I27 K81 V82 R83 M84	I27-D29 PolarHBondContact O-N 2.79Å; D29-K81 HydrophobicContact CB-CB 4.26Å; D29-K81 HydrophobicContact CB-CD 3.87Å; D29-K81 WeakPolarHBondContact OD2-CD 3.31Å; D29-K81 IonicContact OD2-NZ 3.37Å; D29-K81 PolarHBondContact OD2-NZ 3.46Å; D29-V82 PolarHBondContact N-O 2.81Å; D29-R83 HydrophobicContact CB-CG 4.5Å; D29-R83 WeakPolarHBondContact O-CA 3.39Å; D29-M84 PolarHBondContact O-N 2.8Å
30	E	85.9	Confident	86.1	Confident	56 Å²	56	60.6 Å²	60.6	26%	0.262	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	136.8	-178.1	-172.5	163.7	-148.8	0	0	111.9	R83 Y203 K217	E30-R83 VanDerWaalsContact O-CD 3.27Å; E30-R83 WeakPolarHBondContact O-CD 3.44Å; E30-R83 VanDerWaalsContact O-CG 3.27Å; E30-R83 WeakPolarHBondContact O-CG 3.42Å; E30-R83 PolarHBondContact O-NH1 2.66Å; E30-Y203 VanDerWaalsContact OE1-CB 3.29Å; E30-Y203 WeakPolarHBondContact OE1-CB 3.33Å; E30-K217 IonicContact OE2-NZ 3.72Å; E30-K217 PolarHBondContact OE2-NZ 2.68Å
31	S	84	Confident	88.4	Confident	26 Å²	26	51.3 Å²	51.3	18%	0.182	26%	0.259	C	S	.	.			trans	-86.9	142.4	-179.7	-166.6	0	0	0	0	112.5	N33 M84	S31-N33 WeakPolarHBondContact CB-O 3.24Å; S31-N33 PolarHBondContact OG-N 2.95Å; S31-N33 VanDerWaalsContact OG-N 3.07Å; S31-N33 PolarHBondContact OG-O 2.81Å; S31-M84 VanDerWaalsContact CB-C 3.5Å
32	I	75.9	Confident	90	Very high	119 Å²	119	46.5 Å²	46.5	61%	0.61	23%	0.225	S	C	*	.	S	Bend	trans	-88.5	-28.7	166.1	-59.7	166.8	0	0	0	109.8
33	N	80.2	Confident	90.6	Very high	58 Å²	58	42.6 Å²	42.6	31%	0.31	21%	0.214	S	C	.	.			trans	-89.1	122.3	176.9	-168.5	-22.8	0	0	0	109.7	S31 D35	S31-N33 WeakPolarHBondContact CB-O 3.24Å; S31-N33 PolarHBondContact OG-N 2.95Å; S31-N33 VanDerWaalsContact OG-N 3.07Å; S31-N33 PolarHBondContact OG-O 2.81Å; N33-D35 VanDerWaalsContact C-N 3.29Å; N33-D35 PolarHBondContact O-N 2.81Å; N33-D35 VanDerWaalsContact OD1-CB 3.22Å; N33-D35 WeakPolarHBondContact OD1-CB 3.33Å; N33-D35 PolarHBondContact OD1-N 2.91Å
34	E	81.6	Confident	90.9	Very high	120 Å²	120	42.4 Å²	42.4	56%	0.561	22%	0.218	S	C	*	.			trans	-79.1	-10.2	-179.9	-65.1	-157.1	176.9	0	0	113.9	N36 N85 R155	E34-N36 PolarHBondContact O-N 3.14Å; E34-N85 PolarHBondContact O-ND2 3.32Å; E34-R155 IonicContact OE2-NH1 3.81Å
35	D	90.4	Very high	91.2	Very high	44 Å²	44	41.5 Å²	41.5	24%	0.235	21%	0.212	C	C	.	.			trans	-61.7	126.1	-177.4	-170.4	-64.7	0	0	0	112.5	N33 S37 V38 R144	N33-D35 VanDerWaalsContact C-N 3.29Å; N33-D35 PolarHBondContact O-N 2.81Å; N33-D35 VanDerWaalsContact OD1-CB 3.22Å; N33-D35 WeakPolarHBondContact OD1-CB 3.33Å; N33-D35 PolarHBondContact OD1-N 2.91Å; D35-S37 PolarHBondContact O-N 3.23Å; D35-S37 VanDerWaalsContact O-N 3.14Å; D35-S37 PolarHBondContact OD1-N 3.25Å; D35-V38 HydrophobicContact CB-CB 4.11Å; D35-V38 HydrophobicContact CB-CG2 3.84Å; D35-V38 PolarHBondContact O-N 3.37Å; D35-R144 IonicContact OD1-CZ 3.61Å; D35-R144 IonicContact OD1-NH1 3.59Å; D35-R144 PolarHBondContact OD1-NH1 3.29Å; D35-R144 IonicContact OD1-NH2 3.84Å; D35-R144 IonicContact OD2-CZ 3.04Å; D35-R144 VanDerWaalsContact OD2-CZ 3.28Å; D35-R144 IonicContact OD2-NH1 3.76Å; D35-R144 PolarHBondContact OD2-NH1 3.47Å; D35-R144 IonicContact OD2-NH2 3.73Å; D35-R144 PolarHBondContact OD2-NH2 3.17Å
36	N	93.8	Very high	91.3	Very high	20 Å²	20	34.7 Å²	34.7	11%	0.107	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.6	-176.7	-65.8	-22.3	0	0	0	115.5	E34 N85 V87 V88 Y138 L153	E34-N36 PolarHBondContact O-N 3.14Å; N36-N85 VanDerWaalsContact CA-ND2 3.3Å; N36-N85 WeakPolarHBondContact CA-ND2 3.5Å; N36-N85 PolarHBondContact N-ND2 3.04Å; N36-N85 PolarHBondContact OD1-ND2 3.21Å; N36-V87 HydrophobicContact CB-CB 4.47Å; N36-V87 HydrophobicContact CB-CG1 4.29Å; N36-V87 VanDerWaalsContact OD1-CG2 3.26Å; N36-V87 WeakPolarHBondContact OD1-CG2 3.48Å; N36-V88 WeakPolarHBondContact O-CG2 3.48Å; N36-Y138 VanDerWaalsContact CB-OH 3.28Å; N36-Y138 WeakPolarHBondContact CB-OH 3.48Å; N36-Y138 PolarHBondContact ND2-OH 3.44Å; N36-Y138 VanDerWaalsContact ND2-OH 3.14Å; N36-L153 PolarHBondContact ND2-O 3.38Å
37	S	94.7	Very high	91.3	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.042	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	9.3	-174.3	-56.7	0	0	0	0	112	D35 C69 I70 R144	D35-S37 PolarHBondContact O-N 3.23Å; D35-S37 VanDerWaalsContact O-N 3.14Å; D35-S37 PolarHBondContact OD1-N 3.25Å; S37-C69 CarbonylContact O-C 3.52Å; S37-C69 WeakPolarHBondContact O-CA 3.17Å; S37-C69 WeakPolarHBondContact O-CB 3.37Å; S37-I70 PolarHBondContact O-N 2.96Å; S37-R144 PolarHBondContact OG-NH1 2.66Å
38	V	95.4	Very high	91.4	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.7	-175	175.6	0	0	0	0	111.6	D35 I70 L72	D35-V38 HydrophobicContact CB-CB 4.11Å; D35-V38 HydrophobicContact CB-CG2 3.84Å; D35-V38 PolarHBondContact O-N 3.37Å; V38-I70 WeakPolarHBondContact CA-O 3.33Å; V38-L72 HydrophobicContact CG1-CB 4.38Å; V38-L72 HydrophobicContact CG1-CD1 3.59Å; V38-L72 HydrophobicContact CG1-CG 3.88Å; V38-L72 HydrophobicContact CG2-CD1 4.48Å
39	V	96.4	Very high	91.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.2	165.5	-63.2	0	0	0	0	110.6	V57 M59 C69 I70 V71 L72 V82 R83 M84 V88	V39-V57 HydrophobicContact CG2-CG2 3.84Å; V39-M59 HydrophobicContact CB-SD 4.44Å; V39-M59 HydrophobicContact CG1-CE 3.62Å; V39-M59 HydrophobicContact CG1-SD 3.77Å; V39-M59 HydrophobicContact CG2-SD 4.19Å; V39-C69 HydrophobicContact CG1-CB 4.04Å; V39-C69 HydrophobicContact CG2-CB 4.2Å; V39-I70 PolarHBondContact N-O 3.46Å; V39-V71 HydrophobicContact CG2-CB 4.49Å; V39-V71 WeakPolarHBondContact O-CA 3.4Å; V39-L72 PolarHBondContact O-N 2.92Å; V39-V82 HydrophobicContact CB-CG2 4.08Å; V39-R83 VanDerWaalsContact CA-O 3.28Å; V39-R83 WeakPolarHBondContact CA-O 3.47Å; V39-R83 WeakPolarHBondContact CB-O 3.1Å; V39-M84 HydrophobicContact CG1-CB 3.68Å; V39-V88 HydrophobicContact CG1-CG1 4.27Å
40	S	96.3	Very high	91.6	Very high	10 Å²	10	49.3 Å²	49.3	7%	0.07	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.1	-178.6	-49.2	0	0	0	0	112.2	L72 R83	S40-L72 VanDerWaalsContact CA-O 3.31Å; S40-L72 WeakPolarHBondContact CA-O 3.31Å; S40-R83 PolarHBondContact N-O 3.29Å; S40-R83 PolarHBondContact O-N 2.91Å
41	L	95.7	Very high	92	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160.1	175.7	-63	-178.4	0	0	0	110.2	L26 K45 M46 L49 L51 V71 L72 S73 D74 V82 I102	L26-L41 HydrophobicContact CD1-CD1 4.45Å; L26-L41 HydrophobicContact CD1-CD2 3.41Å; L26-L41 VanDerWaalsContact CD1-CD2 3.41Å; L41-K45 HydrophobicContact CD1-CG 4.5Å; L41-M46 HydrophobicContact CB-CG 3.83Å; L41-M46 HydrophobicContact CD1-CG 4.25Å; L41-L49 HydrophobicContact CD1-CD1 4.09Å; L41-L51 HydrophobicContact CD1-CD1 4.16Å; L41-V71 HydrophobicContact CB-CG2 4.44Å; L41-V71 HydrophobicContact CD1-CG2 3.75Å; L41-V71 HydrophobicContact CG-CG2 3.9Å; L41-L72 PolarHBondContact N-O 3.48Å; L41-S73 CarbonylContact O-C 3.52Å; L41-S73 WeakPolarHBondContact O-CA 3.19Å; L41-D74 PolarHBondContact O-N 3.28Å; L41-V82 HydrophobicContact CD2-CB 3.67Å; L41-V82 HydrophobicContact CD2-CG2 3.74Å; L41-I102 HydrophobicContact CD1-CD1 3.95Å
42	S	95.8	Very high	92.5	Very high	7 Å²	7	52.9 Å²	52.9	5%	0.049	27%	0.268	C	S	.	.			trans	-64.8	151.7	168	78.9	0	0	0	0	111.1	A44 K45 M46 C77 D79	S42-A44 VanDerWaalsContact C-N 3.3Å; S42-A44 PolarHBondContact O-N 3.12Å; S42-K45 PolarHBondContact O-N 2.95Å; S42-K45 VanDerWaalsContact O-N 3.09Å; S42-K45 VanDerWaalsContact OG-CB 3.23Å; S42-K45 WeakPolarHBondContact OG-CB 3.38Å; S42-K45 PolarHBondContact OG-N 2.81Å; S42-K45 VanDerWaalsContact OG-N 3.12Å; S42-M46 PolarHBondContact O-N 2.98Å; S42-C77 VanDerWaalsContact CB-O 3.24Å; S42-C77 WeakPolarHBondContact CB-O 3.45Å; S42-D79 VanDerWaalsContact CB-OD1 3.26Å; S42-D79 WeakPolarHBondContact CB-OD1 3.46Å; S42-D79 PolarHBondContact OG-OD1 3.09Å
43	Q	94.4	Very high	93.3	Very high	86 Å²	86	56.4 Å²	56.4	40%	0.402	27%	0.274	S	S	.	.	H	α-helix	trans	-58.3	-43.5	177.7	-174.6	59	48.5	0	0	111.8	K45 M46 D47	Q43-K45 PolarHBondContact O-N 3.09Å; Q43-M46 PolarHBondContact O-N 3.43Å; Q43-D47 PolarHBondContact NE2-OD1 3.06Å; Q43-D47 PolarHBondContact O-N 3Å
44	A	94.2	Very high	93.8	Very high	56 Å²	56	55.7 Å²	55.7	46%	0.463	28%	0.28	S	S	.	.	H	α-helix	trans	-59.9	-37	177.4	0	0	0	0	0	112	S42 E48	S42-A44 VanDerWaalsContact C-N 3.3Å; S42-A44 PolarHBondContact O-N 3.12Å; A44-E48 PolarHBondContact O-N 2.86Å; A44-E48 VanDerWaalsContact O-N 3.09Å
45	K	94.9	Very high	94.5	Very high	15 Å²	15	52.7 Å²	52.7	7%	0.065	27%	0.268	C	S	.	.	H	α-helix	trans	-73	-36.8	178.7	-168.5	55.3	166.5	-173.5	0	112.9	P23 L26 L41 S42 Q43 D47 E48 L49 D79	P23-K45 WeakPolarHBondContact O-CE 3.39Å; P23-K45 PolarHBondContact O-NZ 3.5Å; L26-K45 HydrophobicContact CD2-CD 4.36Å; L26-K45 VanDerWaalsContact CD2-CE 3.45Å; L26-K45 HydrophobicContact CD2-CG 4.25Å; L41-K45 HydrophobicContact CD1-CG 4.5Å; S42-K45 PolarHBondContact O-N 2.95Å; S42-K45 VanDerWaalsContact O-N 3.09Å; S42-K45 VanDerWaalsContact OG-CB 3.23Å; S42-K45 WeakPolarHBondContact OG-CB 3.38Å; S42-K45 PolarHBondContact OG-N 2.81Å; S42-K45 VanDerWaalsContact OG-N 3.12Å; Q43-K45 PolarHBondContact O-N 3.09Å; K45-D47 VanDerWaalsContact C-N 3.34Å; K45-E48 VanDerWaalsContact CD-OE2 3.26Å; K45-E48 WeakPolarHBondContact CD-OE2 3.32Å; K45-E48 WeakPolarHBondContact CE-OE2 3.48Å; K45-E48 IonicContact NZ-OE2 2.91Å; K45-E48 PolarHBondContact NZ-OE2 3.3Å; K45-E48 PolarHBondContact O-N 3.35Å; K45-L49 HydrophobicContact CD-CD1 4.42Å; K45-L49 HydrophobicContact CG-CD1 4.18Å; K45-L49 WeakPolarHBondContact O-CB 3.23Å; K45-L49 WeakPolarHBondContact O-CG 3.38Å; K45-L49 PolarHBondContact O-N 3.42Å; K45-D79 WeakPolarHBondContact CD-O 3.44Å; K45-D79 WeakPolarHBondContact CE-O 3.4Å
46	M	95.3	Very high	94.8	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-44.6	172.9	-70.2	-171.4	64.7	0	0	111.3	L41 S42 Q43 E48 L49 Q50 L51 F52 V71	L41-M46 HydrophobicContact CB-CG 3.83Å; L41-M46 HydrophobicContact CD1-CG 4.25Å; S42-M46 PolarHBondContact O-N 2.98Å; Q43-M46 PolarHBondContact O-N 3.43Å; M46-E48 PolarHBondContact O-N 3.07Å; M46-L49 CarbonylContact O-C 3.56Å; M46-L49 PolarHBondContact O-N 3.26Å; M46-Q50 PolarHBondContact O-N 3.32Å; M46-L51 HydrophobicContact CB-CB 4.43Å; M46-L51 HydrophobicContact CE-CB 4.19Å; M46-L51 PolarHBondContact O-N 3.25Å; M46-F52 VanDerWaalsContact CE-C 3.44Å; M46-F52 WeakPolarHBondContact CE-O 3.38Å; M46-V71 HydrophobicContact CE-CG1 3.95Å; M46-V71 HydrophobicContact CE-CG2 4.27Å; M46-V71 HydrophobicContact SD-CG2 4.38Å
47	D	94.4	Very high	95	Very high	103 Å²	103	50.8 Å²	50.8	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-62.7	-41.8	177.8	-63.6	-17.6	0	0	0	111.6	Q43 K45 L49 Q50	Q43-D47 PolarHBondContact NE2-OD1 3.06Å; Q43-D47 PolarHBondContact O-N 3Å; K45-D47 VanDerWaalsContact C-N 3.34Å; D47-L49 VanDerWaalsContact C-N 3.32Å; D47-L49 PolarHBondContact O-N 3.5Å; D47-Q50 PolarHBondContact O-N 3.42Å
48	E	94.5	Very high	95.1	Very high	112 Å²	112	51.3 Å²	51.3	52%	0.523	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-38.7	176.1	-171.5	-172.8	-169.2	0	0	112.4	P23 A44 K45 M46 Q50	P23-E48 HydrophobicContact CB-CG 4.32Å; P23-E48 WeakPolarHBondContact CB-OE1 3.48Å; A44-E48 PolarHBondContact O-N 2.86Å; A44-E48 VanDerWaalsContact O-N 3.09Å; K45-E48 VanDerWaalsContact CD-OE2 3.26Å; K45-E48 WeakPolarHBondContact CD-OE2 3.32Å; K45-E48 WeakPolarHBondContact CE-OE2 3.48Å; K45-E48 IonicContact NZ-OE2 2.91Å; K45-E48 PolarHBondContact NZ-OE2 3.3Å; K45-E48 PolarHBondContact O-N 3.35Å; M46-E48 PolarHBondContact O-N 3.07Å; E48-Q50 VanDerWaalsContact C-N 3.32Å
49	L	94.2	Very high	95.1	Very high	23 Å²	23	50.8 Å²	50.8	12%	0.12	26%	0.257	C	S	.	.	H	α-helix	trans	-86.4	-1.5	179.1	-65.7	175.1	0	0	0	113.6	N24 L41 K45 M46 D47 L51 I102	N24-L49 HydrophobicContact CB-CD2 4.2Å; L41-L49 HydrophobicContact CD1-CD1 4.09Å; K45-L49 HydrophobicContact CD-CD1 4.42Å; K45-L49 HydrophobicContact CG-CD1 4.18Å; K45-L49 WeakPolarHBondContact O-CB 3.23Å; K45-L49 WeakPolarHBondContact O-CG 3.38Å; K45-L49 PolarHBondContact O-N 3.42Å; M46-L49 CarbonylContact O-C 3.56Å; M46-L49 PolarHBondContact O-N 3.26Å; D47-L49 VanDerWaalsContact C-N 3.32Å; D47-L49 PolarHBondContact O-N 3.5Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 HydrophobicContact CB-CD1 3.85Å; L49-L51 HydrophobicContact CB-CG 4Å; L49-L51 HydrophobicContact CD1-CD1 4.14Å; L49-L51 PolarHBondContact O-N 2.83Å; L49-I102 HydrophobicContact CD1-CG2 3.59Å
50	Q	95.2	Very high	95.1	Very high	161 Å²	161	54 Å²	54	75%	0.752	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	42.7	-176.5	-54.3	-177.6	-37.5	0	0	112.8	M46 D47 E48	M46-Q50 PolarHBondContact O-N 3.32Å; D47-Q50 PolarHBondContact O-N 3.42Å; E48-Q50 VanDerWaalsContact C-N 3.32Å
51	L	95.3	Very high	94.9	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.026	28%	0.279	C	S	.	.			trans	-104.1	140	178	-67.3	170.8	0	0	0	110.5	L41 M46 L49 D55 V57 V71 I102 P104	L41-L51 HydrophobicContact CD1-CD1 4.16Å; M46-L51 HydrophobicContact CB-CB 4.43Å; M46-L51 HydrophobicContact CE-CB 4.19Å; M46-L51 PolarHBondContact O-N 3.25Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 HydrophobicContact CB-CD1 3.85Å; L49-L51 HydrophobicContact CB-CG 4Å; L49-L51 HydrophobicContact CD1-CD1 4.14Å; L49-L51 PolarHBondContact O-N 2.83Å; L51-D55 HydrophobicContact CD2-CB 4.25Å; L51-V57 HydrophobicContact CD1-CG1 3.84Å; L51-V57 HydrophobicContact CD2-CG1 3.72Å; L51-V57 HydrophobicContact CG-CG1 4.45Å; L51-V71 HydrophobicContact CB-CG1 4.14Å; L51-V71 HydrophobicContact CD1-CG1 4.3Å; L51-V71 HydrophobicContact CD1-CG2 4.39Å; L51-I102 HydrophobicContact CD1-CD1 4.42Å; L51-P104 HydrophobicContact CD2-CB 3.82Å; L51-P104 HydrophobicContact CD2-CG 3.75Å
52	F	94.3	Very high	94.5	Very high	152 Å²	152	58.9 Å²	58.9	67%	0.667	30%	0.298	S	S	*	.			trans	-104.6	160.5	171.4	-62.9	-87	0	0	0	111	M46 G54 D55	M46-F52 VanDerWaalsContact CE-C 3.44Å; M46-F52 WeakPolarHBondContact CE-O 3.38Å; F52-G54 PolarHBondContact O-N 3.49Å; F52-D55 PolarHBondContact N-OD2 2.85Å; F52-D55 WeakPolarHBondContact O-CB 3.49Å; F52-D55 PolarHBondContact O-N 3.16Å; F52-D55 VanDerWaalsContact O-N 3.09Å
53	R	92.6	Very high	94.1	Very high	194 Å²	194	64.5 Å²	64.5	73%	0.732	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	121.7	176	-176.4	178.3	175.8	158.6	-0.8	109.7	L72	R53-L72 HydrophobicContact CG-CD2 3.67Å
54	G	91.4	Very high	93.9	Very high	42 Å²	42	71.7 Å²	71.7	43%	0.433	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.3	-4.2	-179	0	0	0	0	0	114.7	F52 V71	F52-G54 PolarHBondContact O-N 3.49Å; G54-V71 PolarHBondContact N-O 2.89Å
55	D	95.6	Very high	93.8	Very high	58 Å²	58	72.1 Å²	72.1	31%	0.31	33%	0.334	S	S	.	.			trans	-64.5	145	176.6	-78.1	-10.4	0	0	0	111.6	L51 F52 I70 V71	L51-D55 HydrophobicContact CD2-CB 4.25Å; F52-D55 PolarHBondContact N-OD2 2.85Å; F52-D55 WeakPolarHBondContact O-CB 3.49Å; F52-D55 PolarHBondContact O-N 3.16Å; F52-D55 VanDerWaalsContact O-N 3.09Å; D55-I70 WeakPolarHBondContact O-CA 3.35Å; D55-V71 HydrophobicContact CB-CG1 3.99Å; D55-V71 WeakPolarHBondContact O-CG1 3.44Å; D55-V71 PolarHBondContact O-N 2.79Å
56	T	96.6	Very high	93.9	Very high	24 Å²	24	73.5 Å²	73.5	15%	0.147	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.8	172.1	41.7	0	0	0	0	110.7	C69 C105 P145 I175	T56-C69 CarbonylContact C-O 3.56Å; T56-C69 WeakPolarHBondContact CA-O 3.17Å; T56-C105 CarbonylContact O-C 3.48Å; T56-C105 WeakPolarHBondContact O-CA 3.3Å; T56-C105 PolarHBondContact O-N 3.49Å; T56-C105 PolarHBondContact OG1-O 2.99Å; T56-P145 HydrophobicContact CG2-CB 4.19Å; T56-P145 HydrophobicContact CG2-CG 4.28Å; T56-I175 HydrophobicContact CG2-CD1 4.27Å
57	V	96.9	Very high	93.9	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.4	-179.2	-67.5	0	0	0	0	110.9	V39 L51 V68 C69 V71 I102 Q103	V39-V57 HydrophobicContact CG2-CG2 3.84Å; L51-V57 HydrophobicContact CD1-CG1 3.84Å; L51-V57 HydrophobicContact CD2-CG1 3.72Å; L51-V57 HydrophobicContact CG-CG1 4.45Å; V57-V68 WeakPolarHBondContact O-CA 3.43Å; V57-C69 HydrophobicContact CG2-CB 4.43Å; V57-C69 WeakPolarHBondContact CG2-O 3.33Å; V57-C69 PolarHBondContact N-O 3.27Å; V57-C69 PolarHBondContact O-N 3.25Å; V57-V71 HydrophobicContact CG1-CB 3.9Å; V57-V71 HydrophobicContact CG1-CG1 3.96Å; V57-V71 HydrophobicContact CG2-CB 4.2Å; V57-I102 HydrophobicContact CB-CD1 4Å; V57-I102 HydrophobicContact CB-CG1 3.86Å; V57-I102 HydrophobicContact CG1-CD1 4.04Å; V57-I102 HydrophobicContact CG1-CG1 4.19Å; V57-I102 HydrophobicContact CG2-CD1 4.04Å; V57-I102 HydrophobicContact CG2-CG1 4.29Å; V57-Q103 CarbonylContact C-O 3.41Å; V57-Q103 WeakPolarHBondContact CA-O 3.43Å
58	L	96.9	Very high	94.1	Very high	16 Å²	16	68.8 Å²	68.8	8%	0.084	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.7	170.5	179.8	69.7	0	0	0	108.8	E66 V68 Q103 C105	L58-E66 HydrophobicContact CD1-CB 4.14Å; L58-V68 HydrophobicContact CD1-CG2 3.86Å; L58-Q103 PolarHBondContact N-O 3.35Å; L58-Q103 PolarHBondContact O-N 2.85Å; L58-C105 HydrophobicContact CB-CB 4Å
59	M	96.1	Very high	94.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141	176.3	-66.8	-178	-66	0	0	110.5	V39 E66 T67 C69 M84 V88 L92 I100 S101 I102	V39-M59 HydrophobicContact CB-SD 4.44Å; V39-M59 HydrophobicContact CG1-CE 3.62Å; V39-M59 HydrophobicContact CG1-SD 3.77Å; V39-M59 HydrophobicContact CG2-SD 4.19Å; M59-E66 CarbonylContact O-C 3.52Å; M59-E66 WeakPolarHBondContact O-CA 3.31Å; M59-E66 WeakPolarHBondContact O-CB 3.24Å; M59-T67 HydrophobicContact CB-CG2 4.36Å; M59-T67 HydrophobicContact CE-CG2 3.7Å; M59-T67 PolarHBondContact N-O 2.88Å; M59-T67 PolarHBondContact O-N 2.84Å; M59-C69 HydrophobicContact CE-CB 3.72Å; M59-C69 WeakPolarHBondContact CE-SG 3.23Å; M59-M84 HydrophobicContact SD-CE 3.77Å; M59-V88 HydrophobicContact CE-CG1 3.43Å; M59-V88 VanDerWaalsContact CE-CG1 3.43Å; M59-V88 HydrophobicContact SD-CG1 4.48Å; M59-L92 HydrophobicContact CB-CD1 3.91Å; M59-L92 HydrophobicContact CB-CD2 4.2Å; M59-L92 HydrophobicContact CE-CD1 4.34Å; M59-L92 HydrophobicContact SD-CD1 4.4Å; M59-I100 HydrophobicContact CB-CD1 4.33Å; M59-I100 HydrophobicContact CG-CD1 4.08Å; M59-I100 HydrophobicContact SD-CD1 4.09Å; M59-S101 WeakPolarHBondContact CA-O 3.39Å; M59-I102 HydrophobicContact CG-CG1 4.18Å
60	K	95.8	Very high	94.3	Very high	69 Å²	69	64 Å²	64	30%	0.3	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126	176	-43	-168.5	179.4	-142.6	0	109.8	E66 S101	K60-E66 HydrophobicContact CB-CG 4.29Å; K60-E66 HydrophobicContact CD-CG 4.29Å; K60-E66 WeakPolarHBondContact CD-OE1 3.39Å; K60-E66 WeakPolarHBondContact CE-OE1 3.48Å; K60-E66 HydrophobicContact CG-CG 3.95Å; K60-E66 IonicContact NZ-OE1 3.28Å; K60-E66 PolarHBondContact NZ-OE1 2.69Å; K60-S101 WeakPolarHBondContact CB-OG 3.12Å; K60-S101 PolarHBondContact N-O 3.03Å; K60-S101 PolarHBondContact O-N 3.03Å
61	G	92.3	Very high	94.3	Very high	22 Å²	22	56.3 Å²	56.3	23%	0.227	26%	0.258	C	S	.	.			trans	-110.5	-150	-176.4	0	0	0	0	0	112.3	R65	G61-R65 PolarHBondContact N-O 3.23Å
62	K	88.3	Confident	94.3	Very high	89 Å²	89	57.8 Å²	57.8	39%	0.387	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-79.4	171.3	176.3	-71.4	176.6	176.3	170.5	0	110.6	R64 R65 L92 V94 D98	K62-R64 PolarHBondContact O-N 2.68Å; K62-R65 PolarHBondContact O-N 3.08Å; K62-L92 PolarHBondContact N-O 2.89Å; K62-L92 VanDerWaalsContact N-O 3.13Å; K62-V94 HydrophobicContact CB-CG1 4.48Å; K62-V94 HydrophobicContact CG-CG1 4.21Å; K62-D98 VanDerWaalsContact CE-CG 3.44Å; K62-D98 VanDerWaalsContact CE-OD1 3.26Å; K62-D98 WeakPolarHBondContact CE-OD1 3.34Å; K62-D98 WeakPolarHBondContact CE-OD2 3.36Å; K62-D98 IonicContact NZ-OD1 2.69Å; K62-D98 PolarHBondContact NZ-OD1 3.05Å; K62-D98 IonicContact NZ-OD2 3.72Å; K62-D98 PolarHBondContact NZ-OD2 3.27Å
63	K	87.5	Confident	94.3	Very high	125 Å²	125	52.4 Å²	52.4	54%	0.543	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	50.6	25.2	-179.7	-63.2	-171.8	174.3	-172	0	114.4	R65 E194	K63-R65 HydrophobicContact CB-CG 4.38Å; K63-R65 PolarHBondContact O-N 3.28Å; K63-E194 IonicContact NZ-OE1 2.7Å; K63-E194 PolarHBondContact NZ-OE1 3.28Å; K63-E194 IonicContact NZ-OE2 3.89Å; K63-E194 PolarHBondContact NZ-OE2 2.72Å
64	R	88.9	Confident	94.3	Very high	237 Å²	237	44.4 Å²	44.4	89%	0.894	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	56.5	26.5	-175	-54.4	178.9	176.5	178.3	-1.1	113.6	K62	K62-R64 PolarHBondContact O-N 2.68Å
65	R	93.3	Very high	94.2	Very high	66 Å²	66	49.4 Å²	49.4	25%	0.249	24%	0.235	C	C	.	.			trans	-80	143.4	171.7	-65.1	-71.1	-171.6	163.7	2.7	109.6	G61 K62 K63 N91 R93	G61-R65 PolarHBondContact N-O 3.23Å; K62-R65 PolarHBondContact O-N 3.08Å; K63-R65 HydrophobicContact CB-CG 4.38Å; K63-R65 PolarHBondContact O-N 3.28Å; R65-N91 WeakPolarHBondContact CB-O 3.41Å; R65-R93 HydrophobicContact CG-CG 3.96Å
66	E	96.1	Very high	93.9	Very high	44 Å²	44	51 Å²	51	21%	0.206	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153	179.4	-47.2	173.9	144.5	0	0	107.9	L58 M59 K60 R147	L58-E66 HydrophobicContact CD1-CB 4.14Å; M59-E66 CarbonylContact O-C 3.52Å; M59-E66 WeakPolarHBondContact O-CA 3.31Å; M59-E66 WeakPolarHBondContact O-CB 3.24Å; K60-E66 HydrophobicContact CB-CG 4.29Å; K60-E66 HydrophobicContact CD-CG 4.29Å; K60-E66 WeakPolarHBondContact CD-OE1 3.39Å; K60-E66 WeakPolarHBondContact CE-OE1 3.48Å; K60-E66 HydrophobicContact CG-CG 3.95Å; K60-E66 IonicContact NZ-OE1 3.28Å; K60-E66 PolarHBondContact NZ-OE1 2.69Å; E66-R147 WeakPolarHBondContact O-CD 3.49Å; E66-R147 PolarHBondContact O-NE 2.91Å; E66-R147 PolarHBondContact O-NH1 2.97Å; E66-R147 IonicContact OE2-CZ 3.03Å; E66-R147 IonicContact OE2-NE 2.81Å; E66-R147 IonicContact OE2-NH2 2.66Å; E66-R147 PolarHBondContact OE2-NH2 2.72Å
67	T	96.6	Very high	93.6	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164.3	173.2	-171.9	0	0	0	0	109	M59 V88 L92 D150	M59-T67 HydrophobicContact CB-CG2 4.36Å; M59-T67 HydrophobicContact CE-CG2 3.7Å; M59-T67 PolarHBondContact N-O 2.88Å; M59-T67 PolarHBondContact O-N 2.84Å; T67-V88 HydrophobicContact CG2-CG1 4.08Å; T67-L92 HydrophobicContact CG2-CD1 4.08Å; T67-L92 HydrophobicContact CG2-CD2 3.68Å; T67-L92 HydrophobicContact CG2-CG 3.67Å; T67-D150 PolarHBondContact OG1-OD2 2.86Å
68	V	96.9	Very high	93.3	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	131.9	-179.3	-171.1	0	0	0	0	109	V57 L58 V108 P145 Y173	V57-V68 WeakPolarHBondContact O-CA 3.43Å; L58-V68 HydrophobicContact CD1-CG2 3.86Å; V68-V108 HydrophobicContact CG1-CG2 4.17Å; V68-P145 HydrophobicContact CB-CB 4.15Å; V68-P145 HydrophobicContact CG1-CB 3.68Å; V68-P145 HydrophobicContact CG1-CG 4.34Å; V68-Y173 HydrophobicContact CG2-CD1 3.92Å; V68-Y173 HydrophobicContact CG2-CG 3.84Å
69	C	96.9	Very high	93.1	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	170.5	179.4	-63.5	0	0	0	0	110.8	S37 V39 T56 V57 M59	S37-C69 CarbonylContact O-C 3.52Å; S37-C69 WeakPolarHBondContact O-CA 3.17Å; S37-C69 WeakPolarHBondContact O-CB 3.37Å; V39-C69 HydrophobicContact CG1-CB 4.04Å; V39-C69 HydrophobicContact CG2-CB 4.2Å; T56-C69 CarbonylContact C-O 3.56Å; T56-C69 WeakPolarHBondContact CA-O 3.17Å; V57-C69 HydrophobicContact CG2-CB 4.43Å; V57-C69 WeakPolarHBondContact CG2-O 3.33Å; V57-C69 PolarHBondContact N-O 3.27Å; V57-C69 PolarHBondContact O-N 3.25Å; M59-C69 HydrophobicContact CE-CB 3.72Å; M59-C69 WeakPolarHBondContact CE-SG 3.23Å
70	I	96.3	Very high	92.9	Very high	34 Å²	34	63.1 Å²	63.1	17%	0.174	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.1	170.9	-60.5	174.7	0	0	0	108.2	S37 V38 V39 D55 P145	S37-I70 PolarHBondContact O-N 2.96Å; V38-I70 WeakPolarHBondContact CA-O 3.33Å; V39-I70 PolarHBondContact N-O 3.46Å; D55-I70 WeakPolarHBondContact O-CA 3.35Å; I70-P145 HydrophobicContact CG1-CG 3.83Å
71	V	95.8	Very high	92.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	135	175.8	71.3	0	0	0	0	112	V39 L41 M46 L51 G54 D55 V57	V39-V71 HydrophobicContact CG2-CB 4.49Å; V39-V71 WeakPolarHBondContact O-CA 3.4Å; L41-V71 HydrophobicContact CB-CG2 4.44Å; L41-V71 HydrophobicContact CD1-CG2 3.75Å; L41-V71 HydrophobicContact CG-CG2 3.9Å; M46-V71 HydrophobicContact CE-CG1 3.95Å; M46-V71 HydrophobicContact CE-CG2 4.27Å; M46-V71 HydrophobicContact SD-CG2 4.38Å; L51-V71 HydrophobicContact CB-CG1 4.14Å; L51-V71 HydrophobicContact CD1-CG1 4.3Å; L51-V71 HydrophobicContact CD1-CG2 4.39Å; G54-V71 PolarHBondContact N-O 2.89Å; D55-V71 HydrophobicContact CB-CG1 3.99Å; D55-V71 WeakPolarHBondContact O-CG1 3.44Å; D55-V71 PolarHBondContact O-N 2.79Å; V57-V71 HydrophobicContact CG1-CB 3.9Å; V57-V71 HydrophobicContact CG1-CG1 3.96Å; V57-V71 HydrophobicContact CG2-CB 4.2Å
72	L	95.6	Very high	92.9	Very high	36 Å²	36	62.1 Å²	62.1	19%	0.188	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	160.4	172.3	-62.8	-177.4	0	0	0	111.4	V38 V39 S40 L41 R53	V38-L72 HydrophobicContact CG1-CB 4.38Å; V38-L72 HydrophobicContact CG1-CD1 3.59Å; V38-L72 HydrophobicContact CG1-CG 3.88Å; V38-L72 HydrophobicContact CG2-CD1 4.48Å; V39-L72 PolarHBondContact O-N 2.92Å; S40-L72 VanDerWaalsContact CA-O 3.31Å; S40-L72 WeakPolarHBondContact CA-O 3.31Å; L41-L72 PolarHBondContact N-O 3.48Å; R53-L72 HydrophobicContact CG-CD2 3.67Å
73	S	93.8	Very high	93.3	Very high	39 Å²	39	59.6 Å²	59.6	27%	0.273	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.3	173.4	57.8	0	0	0	0	111	L41	L41-S73 CarbonylContact O-C 3.52Å; L41-S73 WeakPolarHBondContact O-CA 3.19Å
74	D	92.1	Very high	93.6	Very high	25 Å²	25	53.6 Å²	53.6	13%	0.134	26%	0.263	C	S	.	.			trans	-137.9	117.3	171.5	173.6	9.2	0	0	0	110.2	L41 T76 C77 R83	L41-D74 PolarHBondContact O-N 3.28Å; D74-T76 VanDerWaalsContact CG-OG1 3.32Å; D74-T76 PolarHBondContact O-N 3Å; D74-T76 WeakPolarHBondContact OD1-CB 3.46Å; D74-T76 PolarHBondContact OD1-N 2.98Å; D74-T76 PolarHBondContact OD1-OG1 3.29Å; D74-T76 PolarHBondContact OD2-OG1 3.22Å; D74-C77 HydrophobicContact CB-CB 4.1Å; D74-C77 WeakPolarHBondContact O-CB 3.34Å; D74-C77 PolarHBondContact O-N 3.22Å; D74-R83 WeakPolarHBondContact OD2-CD 3.46Å; D74-R83 IonicContact OD2-CZ 3.53Å; D74-R83 IonicContact OD2-NE 2.72Å; D74-R83 PolarHBondContact OD2-NE 3.29Å
75	D	89.1	Confident	93.8	Very high	147 Å²	147	43.2 Å²	43.2	79%	0.786	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-20	-176.6	-57.9	-29.6	0	0	0	112.9	C77	D75-C77 VanDerWaalsContact C-N 3.35Å
76	T	89.1	Confident	93.7	Very high	93 Å²	93	40.8 Å²	40.8	57%	0.571	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.5	177.8	73.4	0	0	0	0	112.8	D74 R83	D74-T76 VanDerWaalsContact CG-OG1 3.32Å; D74-T76 PolarHBondContact O-N 3Å; D74-T76 WeakPolarHBondContact OD1-CB 3.46Å; D74-T76 PolarHBondContact OD1-N 2.98Å; D74-T76 PolarHBondContact OD1-OG1 3.29Å; D74-T76 PolarHBondContact OD2-OG1 3.22Å; T76-R83 PolarHBondContact O-NH2 2.75Å; T76-R83 PolarHBondContact OG1-NH2 3.47Å
77	C	91.2	Very high	93.7	Very high	8 Å²	8	39 Å²	39	5%	0.054	21%	0.208	C	C	.	.	S	Bend	trans	-83.6	135.2	-179.9	-167.9	0	0	0	0	110.4	S42 D74 D75	S42-C77 VanDerWaalsContact CB-O 3.24Å; S42-C77 WeakPolarHBondContact CB-O 3.45Å; D74-C77 HydrophobicContact CB-CB 4.1Å; D74-C77 WeakPolarHBondContact O-CB 3.34Å; D74-C77 PolarHBondContact O-N 3.22Å; D75-C77 VanDerWaalsContact C-N 3.35Å
78	S	91.3	Very high	93.6	Very high	54 Å²	54	38.9 Å²	38.9	38%	0.378	21%	0.207	S	C	.	.			trans	-80.1	147.4	173.5	60.4	0	0	0	0	111.6	E80 K81	S78-E80 PolarHBondContact O-N 2.8Å; S78-K81 PolarHBondContact O-N 2.94Å; S78-K81 VanDerWaalsContact OG-CD 3.27Å; S78-K81 WeakPolarHBondContact OG-CD 3.32Å; S78-K81 WeakPolarHBondContact OG-CG 3.41Å
79	D	92.3	Very high	93.5	Very high	87 Å²	87	39.3 Å²	39.3	47%	0.465	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.4	-175.7	-57.3	-16.8	0	0	0	115.8	L26 S42 K45	L26-D79 WeakPolarHBondContact CD2-O 3.45Å; S42-D79 VanDerWaalsContact CB-OD1 3.26Å; S42-D79 WeakPolarHBondContact CB-OD1 3.46Å; S42-D79 PolarHBondContact OG-OD1 3.09Å; K45-D79 WeakPolarHBondContact CD-O 3.44Å; K45-D79 WeakPolarHBondContact CE-O 3.4Å
80	E	91.6	Very high	93.3	Very high	144 Å²	144	39.9 Å²	39.9	67%	0.673	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.5	179.3	-60.4	-172.9	164.8	0	0	113.4	I27 S78	I27-E80 PolarHBondContact N-O 3.48Å; S78-E80 PolarHBondContact O-N 2.8Å
81	K	93.3	Very high	93.3	Very high	70 Å²	70	38.9 Å²	38.9	30%	0.304	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	161.5	-170.2	-62.6	-172.1	-176.3	-176.3	0	113.1	I27 D29 S78	I27-K81 HydrophobicContact CB-CG 4.26Å; I27-K81 CarbonylContact O-C 3.56Å; I27-K81 WeakPolarHBondContact O-CA 3.5Å; D29-K81 HydrophobicContact CB-CB 4.26Å; D29-K81 HydrophobicContact CB-CD 3.87Å; D29-K81 WeakPolarHBondContact OD2-CD 3.31Å; D29-K81 IonicContact OD2-NZ 3.37Å; D29-K81 PolarHBondContact OD2-NZ 3.46Å; S78-K81 PolarHBondContact O-N 2.94Å; S78-K81 VanDerWaalsContact OG-CD 3.27Å; S78-K81 WeakPolarHBondContact OG-CD 3.32Å; S78-K81 WeakPolarHBondContact OG-CG 3.41Å
82	V	95.8	Very high	93.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.5	170.6	52.9	0	0	0	0	108.9	L26 I27 D29 V39 L41 M84 I100	L26-V82 HydrophobicContact CB-CB 4.12Å; L26-V82 HydrophobicContact CB-CG1 3.76Å; L26-V82 HydrophobicContact CD1-CB 3.99Å; L26-V82 HydrophobicContact CD1-CG1 4.46Å; I27-V82 PolarHBondContact O-N 2.82Å; D29-V82 PolarHBondContact N-O 2.81Å; V39-V82 HydrophobicContact CB-CG2 4.08Å; L41-V82 HydrophobicContact CD2-CB 3.67Å; L41-V82 HydrophobicContact CD2-CG2 3.74Å; V82-M84 HydrophobicContact CB-CE 4.41Å; V82-M84 HydrophobicContact CG1-CE 3.66Å; V82-M84 HydrophobicContact CG2-CE 3.86Å; V82-I100 HydrophobicContact CG1-CD1 3.97Å; V82-I100 HydrophobicContact CG1-CG1 3.83Å
83	R	95	Very high	93.1	Very high	36 Å²	36	39 Å²	39	14%	0.136	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.8	175.4	-69	-166.2	-169.5	-79.3	0.9	110	D29 E30 V39 S40 D74 T76	D29-R83 HydrophobicContact CB-CG 4.5Å; D29-R83 WeakPolarHBondContact O-CA 3.39Å; E30-R83 VanDerWaalsContact O-CD 3.27Å; E30-R83 WeakPolarHBondContact O-CD 3.44Å; E30-R83 VanDerWaalsContact O-CG 3.27Å; E30-R83 WeakPolarHBondContact O-CG 3.42Å; E30-R83 PolarHBondContact O-NH1 2.66Å; V39-R83 VanDerWaalsContact CA-O 3.28Å; V39-R83 WeakPolarHBondContact CA-O 3.47Å; V39-R83 WeakPolarHBondContact CB-O 3.1Å; S40-R83 PolarHBondContact N-O 3.29Å; S40-R83 PolarHBondContact O-N 2.91Å; D74-R83 WeakPolarHBondContact OD2-CD 3.46Å; D74-R83 IonicContact OD2-CZ 3.53Å; D74-R83 IonicContact OD2-NE 2.72Å; D74-R83 PolarHBondContact OD2-NE 3.29Å; T76-R83 PolarHBondContact O-NH2 2.75Å; T76-R83 PolarHBondContact OG1-NH2 3.47Å
84	M	95.1	Very high	93.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	144.1	177.5	60.6	178.6	67.1	0	0	111.1	V28 D29 S31 V39 M59 V82 V88 R89 L92 V94 I100	V28-M84 HydrophobicContact CG1-CG 3.8Å; V28-M84 HydrophobicContact CG1-SD 3.86Å; V28-M84 HydrophobicContact CG2-CE 4.05Å; V28-M84 HydrophobicContact CG2-SD 3.98Å; D29-M84 PolarHBondContact O-N 2.8Å; S31-M84 VanDerWaalsContact CB-C 3.5Å; V39-M84 HydrophobicContact CG1-CB 3.68Å; M59-M84 HydrophobicContact SD-CE 3.77Å; V82-M84 HydrophobicContact CB-CE 4.41Å; V82-M84 HydrophobicContact CG1-CE 3.66Å; V82-M84 HydrophobicContact CG2-CE 3.86Å; M84-V88 HydrophobicContact CB-CB 4.01Å; M84-V88 HydrophobicContact CB-CG1 3.89Å; M84-V88 HydrophobicContact CE-CG1 4.39Å; M84-V88 HydrophobicContact CG-CB 4.5Å; M84-V88 HydrophobicContact CG-CG1 4.28Å; M84-V88 HydrophobicContact SD-CB 4.39Å; M84-V88 HydrophobicContact SD-CG1 3.7Å; M84-R89 HydrophobicContact CG-CG 3.63Å; M84-R89 HydrophobicContact SD-CG 3.79Å; M84-L92 HydrophobicContact CE-CD1 4.31Å; M84-L92 HydrophobicContact SD-CD1 4.08Å; M84-V94 HydrophobicContact SD-CG2 4.5Å; M84-I100 HydrophobicContact CE-CD1 4.07Å; M84-I100 HydrophobicContact CE-CG1 4.15Å
85	N	93.2	Very high	93	Very high	18 Å²	18	37.7 Å²	37.7	10%	0.096	19%	0.192	C	C	.	.			trans	-73.2	173.3	-178.3	85.5	-6.7	0	0	0	111.4	E34 N36 V87 V88 R89	E34-N85 PolarHBondContact O-ND2 3.32Å; N36-N85 VanDerWaalsContact CA-ND2 3.3Å; N36-N85 WeakPolarHBondContact CA-ND2 3.5Å; N36-N85 PolarHBondContact N-ND2 3.04Å; N36-N85 PolarHBondContact OD1-ND2 3.21Å; N85-V87 VanDerWaalsContact C-N 3.29Å; N85-V87 PolarHBondContact O-N 3.02Å; N85-V87 WeakPolarHBondContact OD1-CB 3.41Å; N85-V87 PolarHBondContact OD1-N 3.39Å; N85-V87 VanDerWaalsContact OD1-N 3.11Å; N85-V88 PolarHBondContact O-N 2.87Å; N85-V88 WeakPolarHBondContact OD1-CG2 3.41Å; N85-V88 PolarHBondContact OD1-N 3.06Å; N85-R89 WeakPolarHBondContact O-CG 3.07Å; N85-R89 PolarHBondContact O-N 2.7Å; N85-R89 VanDerWaalsContact O-N 3.16Å
86	R	91.4	Very high	92.9	Very high	15 Å²	15	31 Å²	31	6%	0.057	16%	0.156	C	C	.	.	H	α-helix	trans	-63.8	-32.1	-177	-166.9	170.5	177.2	-173.2	-6.4	113.9	R89 N90 L198 E200 G202 D204 D205	R86-R89 PolarHBondContact O-N 2.75Å; R86-N90 WeakPolarHBondContact O-CB 3.38Å; R86-N90 PolarHBondContact O-N 2.89Å; R86-L198 HydrophobicContact CB-CD2 4.49Å; R86-L198 HydrophobicContact CG-CD2 4.08Å; R86-E200 PolarHBondContact NH1-O 3.44Å; R86-E200 PolarHBondContact NH2-O 3.48Å; R86-G202 VanDerWaalsContact NH1-CA 3.33Å; R86-G202 VanDerWaalsContact NH1-N 3.18Å; R86-D204 IonicContact NH1-OD1 2.97Å; R86-D205 IonicContact NH1-OD2 3.5Å
87	V	94.8	Very high	92.8	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-50.4	176.3	179.2	0	0	0	0	110.6	N36 N85 R89 N90 N91 I151 F152 L153 L198	N36-V87 HydrophobicContact CB-CB 4.47Å; N36-V87 HydrophobicContact CB-CG1 4.29Å; N36-V87 VanDerWaalsContact OD1-CG2 3.26Å; N36-V87 WeakPolarHBondContact OD1-CG2 3.48Å; N85-V87 VanDerWaalsContact C-N 3.29Å; N85-V87 PolarHBondContact O-N 3.02Å; N85-V87 WeakPolarHBondContact OD1-CB 3.41Å; N85-V87 PolarHBondContact OD1-N 3.39Å; N85-V87 VanDerWaalsContact OD1-N 3.11Å; V87-R89 PolarHBondContact O-N 3.14Å; V87-N90 PolarHBondContact O-N 2.67Å; V87-N91 PolarHBondContact O-N 3.35Å; V87-N91 PolarHBondContact O-ND2 3.34Å; V87-I151 WeakPolarHBondContact CG1-O 3.2Å; V87-F152 HydrophobicContact CG1-CB 4.41Å; V87-L153 HydrophobicContact CG2-CB 4.15Å; V87-L198 HydrophobicContact CG2-CD1 3.94Å; V87-L198 HydrophobicContact CG2-CD2 4.22Å
88	V	95.6	Very high	92.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-61.9	-42.9	177.6	179.4	0	0	0	0	111.3	N36 V39 M59 T67 M84 N85 N91 L92	N36-V88 WeakPolarHBondContact O-CG2 3.48Å; V39-V88 HydrophobicContact CG1-CG1 4.27Å; M59-V88 HydrophobicContact CE-CG1 3.43Å; M59-V88 VanDerWaalsContact CE-CG1 3.43Å; M59-V88 HydrophobicContact SD-CG1 4.48Å; T67-V88 HydrophobicContact CG2-CG1 4.08Å; M84-V88 HydrophobicContact CB-CB 4.01Å; M84-V88 HydrophobicContact CB-CG1 3.89Å; M84-V88 HydrophobicContact CE-CG1 4.39Å; M84-V88 HydrophobicContact CG-CB 4.5Å; M84-V88 HydrophobicContact CG-CG1 4.28Å; M84-V88 HydrophobicContact SD-CB 4.39Å; M84-V88 HydrophobicContact SD-CG1 3.7Å; N85-V88 PolarHBondContact O-N 2.87Å; N85-V88 WeakPolarHBondContact OD1-CG2 3.41Å; N85-V88 PolarHBondContact OD1-N 3.06Å; V88-N91 PolarHBondContact O-N 2.85Å; V88-L92 HydrophobicContact CG1-CD1 4.07Å; V88-L92 WeakPolarHBondContact O-CB 3.39Å; V88-L92 WeakPolarHBondContact O-CG 3.48Å; V88-L92 PolarHBondContact O-N 3.45Å
89	R	94.2	Very high	92.7	Very high	10 Å²	10	28.6 Å²	28.6	4%	0.038	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-45.4	178.3	-67.6	-173.2	-65.8	141.2	0	112	V28 M84 N85 R86 V87 L92 R93 V94 L96 E261	V28-R89 HydrophobicContact CG1-CG 3.86Å; M84-R89 HydrophobicContact CG-CG 3.63Å; M84-R89 HydrophobicContact SD-CG 3.79Å; N85-R89 WeakPolarHBondContact O-CG 3.07Å; N85-R89 PolarHBondContact O-N 2.7Å; N85-R89 VanDerWaalsContact O-N 3.16Å; R86-R89 PolarHBondContact O-N 2.75Å; V87-R89 PolarHBondContact O-N 3.14Å; R89-L92 CarbonylContact O-C 3.56Å; R89-L92 PolarHBondContact O-N 3.35Å; R89-R93 PolarHBondContact O-N 2.95Å; R89-V94 HydrophobicContact CB-CG2 4.24Å; R89-V94 HydrophobicContact CG-CG2 4.39Å; R89-V94 PolarHBondContact O-N 3.29Å; R89-L96 VanDerWaalsContact NH1-CD2 3.31Å; R89-L96 VanDerWaalsContact NH1-CG 3.28Å; R89-E261 IonicContact CZ-OE1 2.69Å; R89-E261 IonicContact CZ-OE2 3.78Å; R89-E261 IonicContact NH1-OE1 3.7Å; R89-E261 IonicContact NH1-OE2 4Å; R89-E261 PolarHBondContact NH1-OE2 2.91Å; R89-E261 IonicContact NH2-OE1 3.62Å; R89-E261 PolarHBondContact NH2-OE1 2.82Å; R89-E261 IonicContact NH2-OE2 2.78Å; R89-E261 PolarHBondContact NH2-OE2 2.88Å
90	N	93.1	Very high	92.9	Very high	14 Å²	14	24.5 Å²	24.5	8%	0.075	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-46.2	177.4	-79.9	14.1	0	0	0	110.9	R86 V87 L92 R93 L198	R86-N90 WeakPolarHBondContact O-CB 3.38Å; R86-N90 PolarHBondContact O-N 2.89Å; V87-N90 PolarHBondContact O-N 2.67Å; N90-L92 VanDerWaalsContact C-N 3.28Å; N90-L92 PolarHBondContact O-N 3.06Å; N90-R93 WeakPolarHBondContact O-CD 3.34Å; N90-R93 PolarHBondContact O-N 2.87Å; N90-R93 PolarHBondContact O-NH1 3.2Å; N90-L198 HydrophobicContact CB-CD2 4.27Å; N90-L198 VanDerWaalsContact ND2-CD2 3.26Å; N90-L198 WeakPolarHBondContact ND2-CD2 3.34Å
91	N	95.3	Very high	93.1	Very high	12 Å²	12	18.9 Å²	18.9	6%	0.064	10%	0.098	C	C	.	.	H	α-helix	trans	-57.8	-39.3	176.7	-72.4	-26.3	0	0	0	112.7	R65 V87 V88 R93 I151	R65-N91 WeakPolarHBondContact CB-O 3.41Å; V87-N91 PolarHBondContact O-N 3.35Å; V87-N91 PolarHBondContact O-ND2 3.34Å; V88-N91 PolarHBondContact O-N 2.85Å; N91-R93 VanDerWaalsContact C-N 3.32Å; N91-R93 PolarHBondContact O-N 2.92Å; N91-I151 PolarHBondContact ND2-O 2.91Å; N91-I151 PolarHBondContact OD1-N 3.32Å; N91-I151 PolarHBondContact OD1-O 2.75Å
92	L	95.3	Very high	93.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-80.3	-8.4	176.7	-70.6	178.5	0	0	0	114.6	M59 K62 T67 M84 V88 R89 N90 V94 I100	M59-L92 HydrophobicContact CB-CD1 3.91Å; M59-L92 HydrophobicContact CB-CD2 4.2Å; M59-L92 HydrophobicContact CE-CD1 4.34Å; M59-L92 HydrophobicContact SD-CD1 4.4Å; K62-L92 PolarHBondContact N-O 2.89Å; K62-L92 VanDerWaalsContact N-O 3.13Å; T67-L92 HydrophobicContact CG2-CD1 4.08Å; T67-L92 HydrophobicContact CG2-CD2 3.68Å; T67-L92 HydrophobicContact CG2-CG 3.67Å; M84-L92 HydrophobicContact CE-CD1 4.31Å; M84-L92 HydrophobicContact SD-CD1 4.08Å; V88-L92 HydrophobicContact CG1-CD1 4.07Å; V88-L92 WeakPolarHBondContact O-CB 3.39Å; V88-L92 WeakPolarHBondContact O-CG 3.48Å; V88-L92 PolarHBondContact O-N 3.45Å; R89-L92 CarbonylContact O-C 3.56Å; R89-L92 PolarHBondContact O-N 3.35Å; N90-L92 VanDerWaalsContact C-N 3.28Å; N90-L92 PolarHBondContact O-N 3.06Å; L92-V94 VanDerWaalsContact C-N 3.29Å; L92-V94 HydrophobicContact CB-CG1 4.16Å; L92-V94 HydrophobicContact CB-CG2 3.74Å; L92-V94 HydrophobicContact CD1-CG2 4.47Å; L92-V94 PolarHBondContact O-N 2.94Å; L92-I100 HydrophobicContact CD1-CG2 4.22Å
93	R	92.9	Very high	93.2	Very high	39 Å²	39	19.2 Å²	19.2	15%	0.147	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	44.9	-173.2	-58.3	-64.8	-171.8	-75	-3.8	112	R65 R89 N90 N91 E194 E195	R65-R93 HydrophobicContact CG-CG 3.96Å; R89-R93 PolarHBondContact O-N 2.95Å; N90-R93 WeakPolarHBondContact O-CD 3.34Å; N90-R93 PolarHBondContact O-N 2.87Å; N90-R93 PolarHBondContact O-NH1 3.2Å; N91-R93 VanDerWaalsContact C-N 3.32Å; N91-R93 PolarHBondContact O-N 2.92Å; R93-E194 PolarHBondContact NE-O 3.21Å; R93-E195 IonicContact NH2-OE1 2.72Å
94	V	93.1	Very high	93.2	Very high	1 Å²	1	21 Å²	21	1%	0.006	12%	0.117	C	C	.	.			trans	-122.3	157.6	179.7	-62.6	0	0	0	0	111.1	V28 K62 M84 R89 L92 D98 I100	V28-V94 HydrophobicContact CG2-CG2 4.01Å; K62-V94 HydrophobicContact CB-CG1 4.48Å; K62-V94 HydrophobicContact CG-CG1 4.21Å; M84-V94 HydrophobicContact SD-CG2 4.5Å; R89-V94 HydrophobicContact CB-CG2 4.24Å; R89-V94 HydrophobicContact CG-CG2 4.39Å; R89-V94 PolarHBondContact O-N 3.29Å; L92-V94 VanDerWaalsContact C-N 3.29Å; L92-V94 HydrophobicContact CB-CG1 4.16Å; L92-V94 HydrophobicContact CB-CG2 3.74Å; L92-V94 HydrophobicContact CD1-CG2 4.47Å; L92-V94 PolarHBondContact O-N 2.94Å; V94-D98 WeakPolarHBondContact CA-OD2 3.38Å; V94-D98 HydrophobicContact CB-CB 3.9Å; V94-D98 HydrophobicContact CG1-CB 4.23Å; V94-I100 HydrophobicContact CB-CG2 4.42Å; V94-I100 HydrophobicContact CG1-CG2 3.86Å; V94-I100 HydrophobicContact CG2-CG2 4.17Å
95	R	89.8	Confident	93.1	Very high	36 Å²	36	21.5 Å²	21.5	14%	0.136	12%	0.12	C	C	.	.			trans	-113.9	175.4	172.3	-63.2	-57.5	-168.4	-122.1	-22.8	111.2	D98 E196 E261	R95-D98 PolarHBondContact N-OD2 3.37Å; R95-D98 WeakPolarHBondContact O-CB 3.2Å; R95-D98 PolarHBondContact O-N 3.42Å; R95-E196 IonicContact CZ-OE1 2.77Å; R95-E196 IonicContact CZ-OE2 3.48Å; R95-E196 IonicContact NH1-OE1 2.77Å; R95-E196 IonicContact NH1-OE2 2.89Å; R95-E196 PolarHBondContact NH1-OE2 3.25Å; R95-E196 IonicContact NH2-OE1 3.28Å; R95-E196 PolarHBondContact NH2-OE1 3.04Å; R95-E196 IonicContact NH2-OE2 3.73Å; R95-E196 PolarHBondContact NH2-OE2 3.06Å; R95-E261 VanDerWaalsContact CD-O 3.29Å; R95-E261 WeakPolarHBondContact CD-O 3.3Å; R95-E261 WeakPolarHBondContact CG-O 3.45Å
96	L	88.1	Confident	93	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	144.3	167.2	-57.7	-175.5	0	0	0	110.2	V28 R89 D98 Y203 R225	V28-L96 HydrophobicContact CG1-CD2 4.16Å; R89-L96 VanDerWaalsContact NH1-CD2 3.31Å; R89-L96 VanDerWaalsContact NH1-CG 3.28Å; L96-D98 PolarHBondContact O-N 3.33Å; L96-D98 VanDerWaalsContact O-N 3.16Å; L96-Y203 HydrophobicContact CD1-CD2 3.73Å; L96-Y203 HydrophobicContact CD1-CE2 3.87Å; L96-R225 PolarHBondContact O-NH2 3.29Å
97	G	85.9	Confident	92.8	Very high	25 Å²	25	30.9 Å²	30.9	26%	0.258	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	-8.6	-176.6	0	0	0	0	0	115.6	V28	V28-G97 PolarHBondContact O-N 3.06Å
98	D	90.3	Very high	92.7	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.091	18%	0.18	C	C	.	.			trans	-70.6	154.2	173.2	-83.2	-30.3	0	0	0	112	I27 V28 K62 V94 R95 L96 R225	I27-D98 CarbonylContact C-O 3.57Å; I27-D98 WeakPolarHBondContact CA-O 3.47Å; V28-D98 WeakPolarHBondContact CG2-O 3.46Å; V28-D98 PolarHBondContact N-O 3.19Å; K62-D98 VanDerWaalsContact CE-CG 3.44Å; K62-D98 VanDerWaalsContact CE-OD1 3.26Å; K62-D98 WeakPolarHBondContact CE-OD1 3.34Å; K62-D98 WeakPolarHBondContact CE-OD2 3.36Å; K62-D98 IonicContact NZ-OD1 2.69Å; K62-D98 PolarHBondContact NZ-OD1 3.05Å; K62-D98 IonicContact NZ-OD2 3.72Å; K62-D98 PolarHBondContact NZ-OD2 3.27Å; V94-D98 WeakPolarHBondContact CA-OD2 3.38Å; V94-D98 HydrophobicContact CB-CB 3.9Å; V94-D98 HydrophobicContact CG1-CB 4.23Å; R95-D98 PolarHBondContact N-OD2 3.37Å; R95-D98 WeakPolarHBondContact O-CB 3.2Å; R95-D98 PolarHBondContact O-N 3.42Å; L96-D98 PolarHBondContact O-N 3.33Å; L96-D98 VanDerWaalsContact O-N 3.16Å; D98-R225 IonicContact OD1-CZ 3.24Å; D98-R225 IonicContact OD1-NH1 2.87Å; D98-R225 IonicContact OD1-NH2 2.75Å; D98-R225 PolarHBondContact OD1-NH2 3.39Å; D98-R225 IonicContact OD2-NH1 3.59Å; D98-R225 IonicContact OD2-NH2 3.32Å; D98-R225 PolarHBondContact OD2-NH2 3.31Å
99	V	91.8	Very high	92.6	Very high	61 Å²	61	38.2 Å²	38.2	37%	0.37	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.8	176.6	-177.1	0	0	0	0	110.2	R25 L26 I27	R25-V99 HydrophobicContact CB-CG1 3.92Å; R25-V99 HydrophobicContact CG-CG1 4.49Å; L26-V99 CarbonylContact O-C 3.52Å; L26-V99 VanDerWaalsContact O-CA 3.32Å; L26-V99 WeakPolarHBondContact O-CA 3.41Å; I27-V99 HydrophobicContact CG1-CG2 4.26Å
100	I	95.9	Very high	92.7	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	165.7	171.6	63.8	112.7	0	0	0	110.6	R25 L26 V28 M59 V82 M84 L92 V94 I102	R25-I100 WeakPolarHBondContact CA-O 3.43Å; L26-I100 PolarHBondContact N-O 2.8Å; L26-I100 PolarHBondContact O-N 2.96Å; V28-I100 HydrophobicContact CG2-CB 4.47Å; V28-I100 HydrophobicContact CG2-CG1 4.12Å; V28-I100 HydrophobicContact CG2-CG2 3.62Å; M59-I100 HydrophobicContact CB-CD1 4.33Å; M59-I100 HydrophobicContact CG-CD1 4.08Å; M59-I100 HydrophobicContact SD-CD1 4.09Å; V82-I100 HydrophobicContact CG1-CD1 3.97Å; V82-I100 HydrophobicContact CG1-CG1 3.83Å; M84-I100 HydrophobicContact CE-CD1 4.07Å; M84-I100 HydrophobicContact CE-CG1 4.15Å; L92-I100 HydrophobicContact CD1-CG2 4.22Å; V94-I100 HydrophobicContact CB-CG2 4.42Å; V94-I100 HydrophobicContact CG1-CG2 3.86Å; V94-I100 HydrophobicContact CG2-CG2 4.17Å; I100-I102 HydrophobicContact CD1-CB 4.42Å
101	S	95.7	Very high	92.8	Very high	26 Å²	26	44.5 Å²	44.5	18%	0.182	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.8	167.4	68.1	0	0	0	0	111.5	N24 M59 K60	N24-S101 CarbonylContact O-C 3.58Å; N24-S101 WeakPolarHBondContact O-CA 3.26Å; M59-S101 WeakPolarHBondContact CA-O 3.39Å; K60-S101 WeakPolarHBondContact CB-OG 3.12Å; K60-S101 PolarHBondContact N-O 3.03Å; K60-S101 PolarHBondContact O-N 3.03Å
102	I	95.8	Very high	92.8	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.7	177.7	-165	173.4	0	0	0	110.6	N24 L26 L41 L49 L51 V57 M59 I100	N24-I102 WeakPolarHBondContact CB-O 3.28Å; N24-I102 PolarHBondContact O-N 3.23Å; L26-I102 HydrophobicContact CD1-CG2 3.86Å; L41-I102 HydrophobicContact CD1-CD1 3.95Å; L49-I102 HydrophobicContact CD1-CG2 3.59Å; L51-I102 HydrophobicContact CD1-CD1 4.42Å; V57-I102 HydrophobicContact CB-CD1 4Å; V57-I102 HydrophobicContact CB-CG1 3.86Å; V57-I102 HydrophobicContact CG1-CD1 4.04Å; V57-I102 HydrophobicContact CG1-CG1 4.19Å; V57-I102 HydrophobicContact CG2-CD1 4.04Å; V57-I102 HydrophobicContact CG2-CG1 4.29Å; M59-I102 HydrophobicContact CG-CG1 4.18Å; I100-I102 HydrophobicContact CD1-CB 4.42Å
103	Q	94.6	Very high	92.8	Very high	75 Å²	75	57.9 Å²	57.9	35%	0.35	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138	178.1	-64	179.7	-23.7	0	0	109.7	V57 L58 C105	V57-Q103 CarbonylContact C-O 3.41Å; V57-Q103 WeakPolarHBondContact CA-O 3.43Å; L58-Q103 PolarHBondContact N-O 3.35Å; L58-Q103 PolarHBondContact O-N 2.85Å; Q103-C105 PolarHBondContact O-N 2.76Å
104	P	95.5	Very high	92.9	Very high	74 Å²	74	56.1 Å²	56.1	48%	0.481	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	138.4	169	-17.9	28.1	0	0	0	110.3	L51	L51-P104 HydrophobicContact CD2-CB 3.82Å; L51-P104 HydrophobicContact CD2-CG 3.75Å
105	C	93.8	Very high	93.1	Very high	9 Å²	9	58.6 Å²	58.6	6%	0.061	29%	0.294	C	S	.	.			trans	-130.5	74.3	178.3	-162.2	0	0	0	0	109.4	T56 L58 Q103 D107 V108	T56-C105 CarbonylContact O-C 3.48Å; T56-C105 WeakPolarHBondContact O-CA 3.3Å; T56-C105 PolarHBondContact O-N 3.49Å; T56-C105 PolarHBondContact OG1-O 2.99Å; L58-C105 HydrophobicContact CB-CB 4Å; Q103-C105 PolarHBondContact O-N 2.76Å; C105-D107 PolarHBondContact O-N 3.29Å; C105-V108 HydrophobicContact CB-CG2 4.09Å; C105-V108 WeakPolarHBondContact O-CG2 3.12Å; C105-V108 VanDerWaalsContact SG-CG2 3.53Å
106	P	89.8	Confident	93.4	Very high	106 Å²	106	56.9 Å²	56.9	69%	0.688	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.6	-179.6	30	-35.6	0	0	0	113	V108	P106-V108 VanDerWaalsContact C-N 3.25Å; P106-V108 PolarHBondContact O-N 3.16Å
107	D	87.4	Confident	93.8	Very high	125 Å²	125	57.4 Å²	57.4	67%	0.668	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	10.2	-173.6	-61.3	-43.7	0	0	0	114	C105 K109	C105-D107 PolarHBondContact O-N 3.29Å; D107-K109 PolarHBondContact O-N 3.17Å
108	V	92.2	Very high	94.2	Very high	16 Å²	16	56.6 Å²	56.6	10%	0.097	28%	0.28	C	S	.	.			trans	-72.3	114.6	180	-169.3	0	0	0	0	109.3	V68 C105 P106 Y173 I175	V68-V108 HydrophobicContact CG1-CG2 4.17Å; C105-V108 HydrophobicContact CB-CG2 4.09Å; C105-V108 WeakPolarHBondContact O-CG2 3.12Å; C105-V108 VanDerWaalsContact SG-CG2 3.53Å; P106-V108 VanDerWaalsContact C-N 3.25Å; P106-V108 PolarHBondContact O-N 3.16Å; V108-Y173 HydrophobicContact CB-CD2 4.47Å; V108-Y173 HydrophobicContact CG1-CD2 4.1Å; V108-Y173 HydrophobicContact CG2-CD2 4Å; V108-Y173 HydrophobicContact CG2-CE2 4.1Å; V108-I175 HydrophobicContact CB-CD1 4.19Å; V108-I175 HydrophobicContact CB-CG1 4.33Å; V108-I175 HydrophobicContact CG1-CD1 4.04Å; V108-I175 HydrophobicContact CG1-CG1 3.63Å
109	K	94.7	Very high	94.4	Very high	146 Å²	146	55.8 Å²	55.8	64%	0.635	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-89.9	157	-178.3	-61.1	176.6	-174	175.1	0	111	D107 G111 P170 C174 I175	D107-K109 PolarHBondContact O-N 3.17Å; K109-G111 PolarHBondContact O-N 3.05Å; K109-P170 HydrophobicContact CB-CG 3.92Å; K109-P170 HydrophobicContact CD-CG 4.46Å; K109-C174 CarbonylContact O-C 3.53Å; K109-C174 WeakPolarHBondContact O-CA 3.06Å; K109-C174 WeakPolarHBondContact O-CB 3.44Å; K109-I175 PolarHBondContact O-N 3.11Å
110	Y	96.2	Very high	94.4	Very high	149 Å²	149	55 Å²	55	58%	0.584	27%	0.269	S	S	*	.	B	Isolated β-bridge	trans	-62	135.9	167.8	-60.7	-43.4	0	0	0	111.2	Y143 I175 A177	Y110-Y143 HydrophobicContact CE1-CD1 4.1Å; Y110-Y143 HydrophobicContact CE1-CE1 4.4Å; Y110-I175 WeakPolarHBondContact CA-O 3.34Å; Y110-I175 HydrophobicContact CD1-CB 3.88Å; Y110-I175 HydrophobicContact CD1-CG2 3.75Å; Y110-I175 HydrophobicContact CE1-CB 4.35Å; Y110-I175 HydrophobicContact CE1-CD1 4.42Å; Y110-I175 HydrophobicContact CE1-CG2 3.93Å; Y110-A177 HydrophobicContact CD1-CB 3.86Å; Y110-A177 HydrophobicContact CE1-CB 4.47Å; Y110-A177 HydrophobicContact CG-CB 4.03Å
111	G	94.3	Very high	94.1	Very high	6 Å²	6	58.2 Å²	58.2	6%	0.062	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-68.5	138.3	176.4	0	0	0	0	0	111	K109 D169 I175 T180	K109-G111 PolarHBondContact O-N 3.05Å; G111-D169 CarbonylContact C-O 3.59Å; G111-D169 WeakPolarHBondContact CA-O 3.43Å; G111-I175 PolarHBondContact N-O 3.21Å; G111-T180 WeakPolarHBondContact O-CA 3.43Å; G111-T180 WeakPolarHBondContact O-CB 3.2Å; G111-T180 WeakPolarHBondContact O-CG2 3.46Å; G111-T180 PolarHBondContact O-OG1 3.06Å
112	K	95.3	Very high	93.9	Very high	141 Å²	141	57.4 Å²	57.4	61%	0.613	28%	0.28	S	S	*	.	S	Bend	trans	-86.8	-45.2	165.2	-64.3	179.3	-179.6	175.3	0	110.4	D169 V181	K112-D169 PolarHBondContact N-O 3.25Å; K112-V181 PolarHBondContact O-N 3.41Å
113	R	95.2	Very high	93.5	Very high	152 Å²	152	58 Å²	58	57%	0.574	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.2	138.8	-176.7	-60.2	-175.2	179.2	168.9	-1.7	110.9	D169 V181	R113-D169 HydrophobicContact CB-CB 4.37Å; R113-D169 PolarHBondContact N-O 3.36Å; R113-D169 PolarHBondContact O-N 3.03Å; R113-V181 CarbonylContact C-O 3.52Å; R113-V181 VanDerWaalsContact CA-O 3.26Å; R113-V181 WeakPolarHBondContact CA-O 3.37Å; R113-V181 HydrophobicContact CG-CB 4.3Å
114	I	96.4	Very high	93	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.2	171.8	64.8	161.1	0	0	0	109.3	V116 F139 I146 T168 V176 T180 V181 I182 H183	I114-V116 HydrophobicContact CD1-CG1 4.32Å; I114-F139 HydrophobicContact CD1-CE2 4.2Å; I114-F139 HydrophobicContact CD1-CZ 4.25Å; I114-I146 HydrophobicContact CB-CD1 4.19Å; I114-I146 HydrophobicContact CD1-CD1 3.82Å; I114-I146 HydrophobicContact CG2-CD1 3.86Å; I114-T168 HydrophobicContact CG2-CG2 4.23Å; I114-V176 HydrophobicContact CD1-CG1 4.33Å; I114-V176 HydrophobicContact CD1-CG2 3.88Å; I114-T180 HydrophobicContact CG1-CG2 4.28Å; I114-T180 HydrophobicContact CG2-CG2 3.9Å; I114-V181 PolarHBondContact N-O 3.09Å; I114-I182 HydrophobicContact CD1-CB 4.37Å; I114-I182 HydrophobicContact CD1-CD1 4.24Å; I114-I182 HydrophobicContact CD1-CG1 3.87Å; I114-I182 HydrophobicContact CD1-CG2 4.02Å; I114-I182 HydrophobicContact CG1-CB 4.08Å; I114-I182 HydrophobicContact CG1-CG1 3.82Å; I114-I182 HydrophobicContact CG1-CG2 4.01Å; I114-H183 PolarHBondContact O-N 2.96Å
115	H	96	Very high	92.3	Very high	54 Å²	54	59.5 Å²	59.5	25%	0.25	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.9	174.9	-171.6	-167.2	0	0	0	108.7	V166 E167 H183 E185	H115-V166 HydrophobicContact CB-CB 4.5Å; H115-V166 PolarHBondContact O-N 2.78Å; H115-E167 HydrophobicContact CB-CB 4.14Å; H115-E167 PolarHBondContact N-O 3.41Å; H115-E167 PolarHBondContact O-N 3.29Å; H115-H183 WeakPolarHBondContact CA-O 3.16Å; H115-H183 HydrophobicContact CB-CB 4.49Å; H115-H183 PolarHBondContact CD2-O 2.92Å; H115-E185 PolarHBondContact NE2-O 2.82Å; H115-E185 VanDerWaalsContact NE2-O 3.1Å
116	V	96.5	Very high	91.7	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.5	-178.8	-64.9	0	0	0	0	109.4	I114 L135 F152 K164 V165 I182 H183 C184	I114-V116 HydrophobicContact CD1-CG1 4.32Å; V116-L135 HydrophobicContact CG2-CD1 3.47Å; V116-L135 VanDerWaalsContact CG2-CD1 3.47Å; V116-L135 HydrophobicContact CG2-CD2 4.11Å; V116-L135 HydrophobicContact CG2-CG 4.45Å; V116-F152 HydrophobicContact CG1-CE1 3.99Å; V116-F152 HydrophobicContact CG1-CZ 4.17Å; V116-K164 WeakPolarHBondContact CA-O 3.49Å; V116-V165 HydrophobicContact CG1-CG2 4.16Å; V116-I182 HydrophobicContact CG2-CG2 4.05Å; V116-H183 PolarHBondContact N-O 3.25Å; V116-C184 WeakPolarHBondContact O-CA 3.49Å
117	L	95.8	Very high	91.2	Very high	17 Å²	17	57.9 Å²	57.9	9%	0.089	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.7	176.4	-68.1	178.2	0	0	0	110.2	F163 K164 V166 I189	L117-F163 WeakPolarHBondContact O-CA 3.47Å; L117-K164 PolarHBondContact N-O 3.49Å; L117-K164 PolarHBondContact O-N 2.96Å; L117-V166 HydrophobicContact CB-CG2 4.13Å; L117-V166 HydrophobicContact CD1-CG2 3.9Å; L117-V166 HydrophobicContact CG-CG2 3.91Å; L117-I189 HydrophobicContact CB-CG2 4.03Å; L117-I189 HydrophobicContact CD1-CG2 3.78Å
118	P	95.1	Very high	90.9	Very high	8 Å²	8	54.2 Å²	54.2	5%	0.052	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	153.3	175.2	30	-33.8	0	0	0	111.6	V123 L130 V161 E162 F163 P188 I189	P118-V123 HydrophobicContact CB-CG1 3.52Å; P118-V123 HydrophobicContact CB-CG2 4.35Å; P118-V123 HydrophobicContact CG-CG1 4.25Å; P118-V123 HydrophobicContact CG-CG2 4.5Å; P118-L130 HydrophobicContact CB-CD1 4.33Å; P118-L130 HydrophobicContact CG-CD1 4.02Å; P118-V161 HydrophobicContact CB-CG1 4.27Å; P118-E162 CarbonylContact C-O 3.57Å; P118-E162 WeakPolarHBondContact CA-O 3.3Å; P118-F163 HydrophobicContact CB-CD1 4.08Å; P118-F163 HydrophobicContact CB-CE1 3.94Å; P118-P188 HydrophobicContact CG-CB 4.2Å; P118-P188 HydrophobicContact CG-CG 4.2Å; P118-P188 CarbonylContact O-C 3.47Å; P118-P188 VanDerWaalsContact O-CA 3.31Å; P118-P188 WeakPolarHBondContact O-CA 3.46Å; P118-I189 VanDerWaalsContact O-CG1 3.32Å; P118-I189 WeakPolarHBondContact O-CG1 3.46Å; P118-I189 PolarHBondContact O-N 2.92Å
119	I	94.5	Very high	90.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-82.8	131.4	169.6	-52.5	-175	0	0	0	109.3	D121 T122 I151 E162 I189 R191	I119-D121 WeakPolarHBondContact CG2-OD1 3.37Å; I119-D121 PolarHBondContact O-N 2.94Å; I119-T122 PolarHBondContact O-N 3.2Å; I119-T122 PolarHBondContact O-OG1 2.92Å; I119-I151 HydrophobicContact CD1-CD1 4.19Å; I119-I151 HydrophobicContact CD1-CG2 4.15Å; I119-E162 HydrophobicContact CB-CB 4.3Å; I119-E162 HydrophobicContact CD1-CB 3.67Å; I119-E162 WeakPolarHBondContact CD1-OE2 3.41Å; I119-E162 HydrophobicContact CG1-CB 3.94Å; I119-E162 PolarHBondContact N-O 3.04Å; I119-I189 WeakPolarHBondContact CA-O 3.43Å; I119-I189 HydrophobicContact CG1-CD1 4.36Å; I119-I189 HydrophobicContact CG1-CG1 4.29Å; I119-R191 HydrophobicContact CG2-CB 3.99Å
120	D	91.9	Very high	90.3	Very high	45 Å²	45	51.2 Å²	51.2	24%	0.241	26%	0.264	C	S	.	.	H	α-helix	trans	-52.1	-49.8	-173	59.7	-5.7	0	0	0	113.4	T122 V123 E124 P188 I189 R190	D120-T122 PolarHBondContact O-N 2.92Å; D120-V123 WeakPolarHBondContact O-CG2 3.43Å; D120-V123 PolarHBondContact O-N 2.89Å; D120-E124 PolarHBondContact O-N 2.91Å; D120-P188 HydrophobicContact CB-CB 3.87Å; D120-I189 PolarHBondContact N-O 3.39Å; D120-R190 WeakPolarHBondContact OD2-CG 3.41Å
121	D	89.6	Confident	90	Very high	69 Å²	69	46.5 Å²	46.5	37%	0.369	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-15	179.7	68.1	4.3	0	0	0	115	I119 R191	I119-D121 WeakPolarHBondContact CG2-OD1 3.37Å; I119-D121 PolarHBondContact O-N 2.94Å; D121-R191 IonicContact OD1-CZ 2.82Å; D121-R191 IonicContact OD1-NE 3.87Å; D121-R191 IonicContact OD1-NH2 2.69Å; D121-R191 PolarHBondContact OD1-NH2 3.01Å; D121-R191 IonicContact OD2-CZ 3.57Å; D121-R191 IonicContact OD2-NE 2.85Å; D121-R191 PolarHBondContact OD2-NE 3.04Å; D121-R191 IonicContact OD2-NH2 3.67Å; D121-R191 PolarHBondContact OD2-NH2 3.02Å
122	T	90.7	Very high	89.7	Confident	9 Å²	9	49.8 Å²	49.8	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-100.1	-10.4	177.8	66.9	0	0	0	0	114.3	I119 D120 E162	I119-T122 PolarHBondContact O-N 3.2Å; I119-T122 PolarHBondContact O-OG1 2.92Å; D120-T122 PolarHBondContact O-N 2.92Å; T122-E162 HydrophobicContact CG2-CB 3.92Å; T122-E162 HydrophobicContact CG2-CG 3.92Å; T122-E162 PolarHBondContact OG1-N 2.86Å
123	V	88.6	Confident	89.3	Confident	15 Å²	15	43.4 Å²	43.4	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-116.5	1.4	-177.9	-61.5	0	0	0	0	113.8	P118 D120 G125 I126 L130 V161 P188	P118-V123 HydrophobicContact CB-CG1 3.52Å; P118-V123 HydrophobicContact CB-CG2 4.35Å; P118-V123 HydrophobicContact CG-CG1 4.25Å; P118-V123 HydrophobicContact CG-CG2 4.5Å; D120-V123 WeakPolarHBondContact O-CG2 3.43Å; D120-V123 PolarHBondContact O-N 2.89Å; V123-G125 PolarHBondContact O-N 2.89Å; V123-I126 HydrophobicContact CB-CD1 4.15Å; V123-I126 HydrophobicContact CB-CG1 4.01Å; V123-I126 HydrophobicContact CG1-CD1 4.08Å; V123-I126 HydrophobicContact CG1-CG1 4.49Å; V123-I126 WeakPolarHBondContact O-CG1 3.4Å; V123-I126 PolarHBondContact O-N 2.89Å; V123-I126 VanDerWaalsContact O-N 3.16Å; V123-L130 HydrophobicContact CG1-CD1 4.17Å; V123-V161 HydrophobicContact CG1-CG1 3.52Å; V123-V161 HydrophobicContact CG1-CG2 4.4Å; V123-P188 HydrophobicContact CG2-CB 3.93Å; V123-P188 HydrophobicContact CG2-CG 3.76Å
124	E	84.3	Confident	89.1	Confident	142 Å²	142	36.3 Å²	36.3	66%	0.664	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	121.8	173	-70.8	-173.9	178.9	0	0	111.4	D120 R159	D120-E124 PolarHBondContact O-N 2.91Å; E124-R159 PolarHBondContact O-NH1 3.48Å
125	G	79.6	Confident	89	Confident	38 Å²	38	36.2 Å²	36.2	39%	0.392	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	4.2	178.5	0	0	0	0	0	116.2	V123	V123-G125 PolarHBondContact O-N 2.89Å
126	I	81.4	Confident	88.7	Confident	20 Å²	20	38 Å²	38	10%	0.103	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.5	168.2	53	170	0	0	0	111.4	V123 L130 Y134 V161	V123-I126 HydrophobicContact CB-CD1 4.15Å; V123-I126 HydrophobicContact CB-CG1 4.01Å; V123-I126 HydrophobicContact CG1-CD1 4.08Å; V123-I126 HydrophobicContact CG1-CG1 4.49Å; V123-I126 WeakPolarHBondContact O-CG1 3.4Å; V123-I126 PolarHBondContact O-N 2.89Å; V123-I126 VanDerWaalsContact O-N 3.16Å; I126-L130 HydrophobicContact CD1-CD2 3.71Å; I126-L130 HydrophobicContact CG1-CD2 4.46Å; I126-Y134 HydrophobicContact CD1-CE2 4.41Å; I126-V161 HydrophobicContact CD1-CG2 3.91Å
127	T	79.4	Confident	88.5	Confident	62 Å²	62	41.5 Å²	41.5	38%	0.38	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	179	174.1	53.9	0	0	0	0	109.6	T436 I437 A439	T127-T436 HydrophobicContact CG2-CG2 3.91Å; T127-T436 WeakPolarHBondContact CG2-OG1 3.36Å; T127-T436 PolarHBondContact OG1-OG1 2.77Å; T127-I437 PolarHBondContact N-O 3.27Å; T127-A439 PolarHBondContact O-N 3.35Å
128	G	82	Confident	88.4	Confident	47 Å²	47	41.9 Å²	41.9	49%	0.485	24%	0.236	S	C	.	.	S	Bend	trans	93.7	-163.1	-179.8	0	0	0	0	0	114.2	L130	G128-L130 PolarHBondContact O-N 2.69Å
129	N	85.9	Confident	88.3	Confident	68 Å²	68	42.2 Å²	42.2	36%	0.364	24%	0.237	S	C	.	.			trans	-88.8	87.4	-169.7	-168.4	-16.5	0	0	0	112.5	F131 E132 V133	N129-F131 PolarHBondContact O-N 2.82Å; N129-F131 VanDerWaalsContact O-N 3.14Å; N129-F131 WeakPolarHBondContact OD1-CB 3.3Å; N129-F131 PolarHBondContact OD1-N 3.28Å; N129-F131 VanDerWaalsContact OD1-N 3.17Å; N129-E132 HydrophobicContact CB-CB 4.38Å; N129-E132 WeakPolarHBondContact ND2-CG 3.22Å; N129-E132 PolarHBondContact O-N 2.76Å; N129-E132 PolarHBondContact OD1-N 3.06Å; N129-V133 WeakPolarHBondContact O-CG2 3.46Å; N129-V133 PolarHBondContact O-N 2.99Å
130	L	88.1	Confident	88.1	Confident	32 Å²	32	47.9 Å²	47.9	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-58.4	-27.4	177.9	-60.6	179.8	0	0	0	113.4	P118 V123 I126 G128 Y134 L135 F163 A439	P118-L130 HydrophobicContact CB-CD1 4.33Å; P118-L130 HydrophobicContact CG-CD1 4.02Å; V123-L130 HydrophobicContact CG1-CD1 4.17Å; I126-L130 HydrophobicContact CD1-CD2 3.71Å; I126-L130 HydrophobicContact CG1-CD2 4.46Å; G128-L130 PolarHBondContact O-N 2.69Å; L130-Y134 HydrophobicContact CD2-CD2 4.09Å; L130-Y134 HydrophobicContact CD2-CE2 3.94Å; L130-Y134 WeakPolarHBondContact O-CB 3.34Å; L130-Y134 PolarHBondContact O-N 3.32Å; L130-L135 PolarHBondContact O-N 3.49Å; L130-F163 HydrophobicContact CB-CZ 4.49Å; L130-A439 HydrophobicContact CD2-CB 4.41Å
131	F	89.8	Confident	87.8	Confident	50 Å²	50	53.2 Å²	53.2	22%	0.219	29%	0.29	C	S	.	.	I	π-helix	trans	-68.2	-49.9	178.9	167.4	-95.8	0	0	0	112	N129 V133 L135 K136 I182 C184	N129-F131 PolarHBondContact O-N 2.82Å; N129-F131 VanDerWaalsContact O-N 3.14Å; N129-F131 WeakPolarHBondContact OD1-CB 3.3Å; N129-F131 PolarHBondContact OD1-N 3.28Å; N129-F131 VanDerWaalsContact OD1-N 3.17Å; F131-V133 VanDerWaalsContact C-N 3.32Å; F131-V133 PolarHBondContact O-N 2.91Å; F131-L135 HydrophobicContact CB-CD1 4.35Å; F131-L135 HydrophobicContact CD2-CB 3.84Å; F131-L135 HydrophobicContact CD2-CD1 4.05Å; F131-L135 HydrophobicContact CE2-CB 4.39Å; F131-L135 PolarHBondContact O-N 3.14Å; F131-L135 VanDerWaalsContact O-N 3.16Å; F131-K136 HydrophobicContact CE1-CB 4.26Å; F131-K136 HydrophobicContact CE1-CD 4.42Å; F131-K136 HydrophobicContact CZ-CB 4.19Å; F131-K136 WeakPolarHBondContact O-CB 3.26Å; F131-K136 PolarHBondContact O-N 3.49Å; F131-I182 HydrophobicContact CD2-CB 4.24Å; F131-I182 HydrophobicContact CD2-CG2 4.01Å; F131-I182 HydrophobicContact CE2-CB 3.67Å; F131-I182 HydrophobicContact CE2-CD1 4.01Å; F131-I182 HydrophobicContact CE2-CG1 4.28Å; F131-I182 HydrophobicContact CE2-CG2 3.89Å; F131-C184 HydrophobicContact CB-CB 4.47Å; F131-C184 VanDerWaalsContact CB-SG 3.58Å
132	E	87.4	Confident	87.8	Confident	74 Å²	74	51.5 Å²	51.5	35%	0.346	29%	0.285	S	S	.	.	I	π-helix	trans	-65.7	-37.2	179.8	-78.8	-68.6	149.9	0	0	111.8	N129 K136 P137	N129-E132 HydrophobicContact CB-CB 4.38Å; N129-E132 WeakPolarHBondContact ND2-CG 3.22Å; N129-E132 PolarHBondContact O-N 2.76Å; N129-E132 PolarHBondContact OD1-N 3.06Å; E132-K136 WeakPolarHBondContact OE1-CD 3.3Å; E132-K136 IonicContact OE1-NZ 2.62Å; E132-K136 PolarHBondContact OE1-NZ 3.11Å; E132-K136 WeakPolarHBondContact OE2-CD 3.46Å; E132-K136 WeakPolarHBondContact OE2-CE 3.36Å; E132-K136 IonicContact OE2-NZ 3.19Å; E132-K136 PolarHBondContact OE2-NZ 3.07Å; E132-P137 WeakPolarHBondContact O-CD 3.36Å
133	V	87.6	Confident	88	Confident	8 Å²	8	56.1 Å²	56.1	5%	0.048	30%	0.302	C	S	.	.	I	π-helix	trans	-77.8	-46.9	-176.1	177.2	0	0	0	0	112.8	N129 F131 A439 E440 N443	N129-V133 WeakPolarHBondContact O-CG2 3.46Å; N129-V133 PolarHBondContact O-N 2.99Å; F131-V133 VanDerWaalsContact C-N 3.32Å; F131-V133 PolarHBondContact O-N 2.91Å; V133-A439 HydrophobicContact CB-CB 4.34Å; V133-A439 HydrophobicContact CG1-CB 4.23Å; V133-A439 HydrophobicContact CG2-CB 4Å; V133-E440 HydrophobicContact CG2-CB 4.29Å; V133-E440 HydrophobicContact CG2-CG 3.56Å; V133-N443 HydrophobicContact CG1-CB 3.78Å
134	Y	91.1	Very high	88.3	Confident	3 Å²	3	57 Å²	57	1%	0.012	30%	0.304	C	S	.	.	I	π-helix	trans	-107.1	-56.5	-171.6	-64.6	-86.7	0	0	0	112.2	I126 L130 Y138 V154 G156 V161 F163 A439	I126-Y134 HydrophobicContact CD1-CE2 4.41Å; L130-Y134 HydrophobicContact CD2-CD2 4.09Å; L130-Y134 HydrophobicContact CD2-CE2 3.94Å; L130-Y134 WeakPolarHBondContact O-CB 3.34Å; L130-Y134 PolarHBondContact O-N 3.32Å; Y134-Y138 WeakPolarHBondContact O-CB 3.43Å; Y134-Y138 PolarHBondContact O-N 3.37Å; Y134-V154 HydrophobicContact CD1-CB 4.08Å; Y134-V154 HydrophobicContact CD1-CG1 3.93Å; Y134-V154 HydrophobicContact CG-CG1 4.43Å; Y134-G156 PolarHBondContact OH-O 2.95Å; Y134-V161 HydrophobicContact CD1-CB 4.43Å; Y134-V161 HydrophobicContact CD1-CG2 4.31Å; Y134-V161 HydrophobicContact CE1-CB 4.33Å; Y134-V161 HydrophobicContact CE1-CG2 3.78Å; Y134-V161 HydrophobicContact CE2-CG2 4.02Å; Y134-F163 HydrophobicContact CG-CE2 4.32Å; Y134-F163 HydrophobicContact CG-CZ 4.38Å; Y134-A439 HydrophobicContact CE2-CB 4.21Å
135	L	92.9	Very high	88.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	I	π-helix	trans	-70.8	-41.5	-168.3	-61.8	175.3	0	0	0	112.8	V116 L130 F131 Y138 F139 F152 F163 I182 C184	V116-L135 HydrophobicContact CG2-CD1 3.47Å; V116-L135 VanDerWaalsContact CG2-CD1 3.47Å; V116-L135 HydrophobicContact CG2-CD2 4.11Å; V116-L135 HydrophobicContact CG2-CG 4.45Å; L130-L135 PolarHBondContact O-N 3.49Å; F131-L135 HydrophobicContact CB-CD1 4.35Å; F131-L135 HydrophobicContact CD2-CB 3.84Å; F131-L135 HydrophobicContact CD2-CD1 4.05Å; F131-L135 HydrophobicContact CE2-CB 4.39Å; F131-L135 PolarHBondContact O-N 3.14Å; F131-L135 VanDerWaalsContact O-N 3.16Å; L135-Y138 PolarHBondContact O-N 3.04Å; L135-F139 HydrophobicContact CB-CD2 4.49Å; L135-F139 HydrophobicContact CD2-CE2 4.23Å; L135-F139 VanDerWaalsContact O-CD2 3.23Å; L135-F139 WeakPolarHBondContact O-CD2 3.41Å; L135-F139 PolarHBondContact O-N 3.36Å; L135-F152 HydrophobicContact CD2-CE2 3.82Å; L135-F152 HydrophobicContact CD2-CZ 3.75Å; L135-F163 HydrophobicContact CD1-CE1 4.3Å; L135-F163 HydrophobicContact CD2-CD1 3.96Å; L135-F163 HydrophobicContact CD2-CD2 3.87Å; L135-F163 HydrophobicContact CD2-CE1 4.06Å; L135-F163 HydrophobicContact CD2-CE2 3.98Å; L135-F163 HydrophobicContact CD2-CG 3.85Å; L135-F163 HydrophobicContact CD2-CZ 4.07Å; L135-F163 HydrophobicContact CG-CE1 4.22Å; L135-F163 HydrophobicContact CG-CZ 4.2Å; L135-I182 HydrophobicContact CD1-CG2 4.24Å; L135-C184 HydrophobicContact CD1-CB 3.84Å
136	K	91.1	Very high	89.7	Confident	91 Å²	91	48.9 Å²	48.9	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-51.8	-176.4	178.5	-176.2	-174.1	177.2	0	112.1	F131 E132 Y138 F139 L140	F131-K136 HydrophobicContact CE1-CB 4.26Å; F131-K136 HydrophobicContact CE1-CD 4.42Å; F131-K136 HydrophobicContact CZ-CB 4.19Å; F131-K136 WeakPolarHBondContact O-CB 3.26Å; F131-K136 PolarHBondContact O-N 3.49Å; E132-K136 WeakPolarHBondContact OE1-CD 3.3Å; E132-K136 IonicContact OE1-NZ 2.62Å; E132-K136 PolarHBondContact OE1-NZ 3.11Å; E132-K136 WeakPolarHBondContact OE2-CD 3.46Å; E132-K136 WeakPolarHBondContact OE2-CE 3.36Å; E132-K136 IonicContact OE2-NZ 3.19Å; E132-K136 PolarHBondContact OE2-NZ 3.07Å; K136-Y138 VanDerWaalsContact C-N 3.26Å; K136-Y138 PolarHBondContact O-N 2.99Å; K136-F139 PolarHBondContact O-N 3Å; K136-L140 WeakPolarHBondContact O-CB 3.26Å; K136-L140 PolarHBondContact O-N 2.97Å
137	P	91	Very high	90.4	Very high	74 Å²	74	49.8 Å²	49.8	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-34.8	173.8	-23	34	0	0	0	112.9	E132 F139	E132-P137 WeakPolarHBondContact O-CD 3.36Å; P137-F139 PolarHBondContact O-N 3.49Å
138	Y	93.6	Very high	91.2	Very high	25 Å²	25	50.6 Å²	50.6	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-37.8	-178.4	-180	-103.1	0	0	0	113.5	N36 Y134 L135 K136 R144 F152 V154	N36-Y138 VanDerWaalsContact CB-OH 3.28Å; N36-Y138 WeakPolarHBondContact CB-OH 3.48Å; N36-Y138 PolarHBondContact ND2-OH 3.44Å; N36-Y138 VanDerWaalsContact ND2-OH 3.14Å; Y134-Y138 WeakPolarHBondContact O-CB 3.43Å; Y134-Y138 PolarHBondContact O-N 3.37Å; L135-Y138 PolarHBondContact O-N 3.04Å; K136-Y138 VanDerWaalsContact C-N 3.26Å; K136-Y138 PolarHBondContact O-N 2.99Å; Y138-R144 PolarHBondContact O-NE 3.33Å; Y138-F152 HydrophobicContact CD1-CD2 4.03Å; Y138-F152 AromaticContact CD1-CE2 3.84Å; Y138-F152 HydrophobicContact CD1-CE2 3.84Å; Y138-F152 AromaticContact CE1-CD2 3.42Å; Y138-F152 HydrophobicContact CE1-CD2 3.42Å; Y138-F152 VanDerWaalsContact CE1-CD2 3.42Å; Y138-F152 AromaticContact CE1-CE2 3.64Å; Y138-F152 HydrophobicContact CE1-CE2 3.64Å; Y138-F152 HydrophobicContact CE1-CG 4.13Å; Y138-F152 HydrophobicContact CE2-CD2 4.47Å; Y138-F152 AromaticContact CZ-CD2 3.68Å; Y138-V154 HydrophobicContact CD1-CG2 4.19Å; Y138-V154 HydrophobicContact CD2-CG1 4.24Å; Y138-V154 HydrophobicContact CD2-CG2 3.77Å; Y138-V154 HydrophobicContact CE2-CG2 4.23Å; Y138-V154 HydrophobicContact CG-CG1 4.4Å; Y138-V154 HydrophobicContact CG-CG2 3.74Å
139	F	94.1	Very high	91.8	Very high	14 Å²	14	49.2 Å²	49.2	6%	0.061	24%	0.243	C	C	.	.	H	α-helix	trans	-96.1	-10.2	179.7	-68.7	-63.2	0	0	0	114.3	I114 L135 K136 P137 E141 A142 R144 I146 F152 V176 I182	I114-F139 HydrophobicContact CD1-CE2 4.2Å; I114-F139 HydrophobicContact CD1-CZ 4.25Å; L135-F139 HydrophobicContact CB-CD2 4.49Å; L135-F139 HydrophobicContact CD2-CE2 4.23Å; L135-F139 VanDerWaalsContact O-CD2 3.23Å; L135-F139 WeakPolarHBondContact O-CD2 3.41Å; L135-F139 PolarHBondContact O-N 3.36Å; K136-F139 PolarHBondContact O-N 3Å; P137-F139 PolarHBondContact O-N 3.49Å; F139-E141 PolarHBondContact O-N 2.98Å; F139-E141 VanDerWaalsContact O-N 3.09Å; F139-A142 PolarHBondContact O-N 3.46Å; F139-R144 HydrophobicContact CD1-CB 4.19Å; F139-R144 HydrophobicContact CD1-CG 4.44Å; F139-R144 HydrophobicContact CE1-CB 4.2Å; F139-I146 HydrophobicContact CE1-CG2 4.1Å; F139-F152 HydrophobicContact CE2-CE2 4.28Å; F139-F152 AromaticContact CE2-CZ 3.99Å; F139-F152 HydrophobicContact CE2-CZ 3.99Å; F139-F152 HydrophobicContact CZ-CE1 4.29Å; F139-F152 HydrophobicContact CZ-CE2 4.13Å; F139-F152 AromaticContact CZ-CZ 3.8Å; F139-F152 HydrophobicContact CZ-CZ 3.8Å; F139-V176 HydrophobicContact CB-CG1 3.94Å; F139-V176 HydrophobicContact CD1-CB 3.72Å; F139-V176 HydrophobicContact CD1-CG1 3.7Å; F139-V176 HydrophobicContact CD1-CG2 3.84Å; F139-V176 HydrophobicContact CD2-CG1 4.47Å; F139-V176 HydrophobicContact CE1-CB 4.11Å; F139-V176 HydrophobicContact CE1-CG1 4.32Å; F139-V176 HydrophobicContact CE1-CG2 3.67Å; F139-V176 HydrophobicContact CG-CB 4.34Å; F139-V176 HydrophobicContact CG-CG1 3.8Å; F139-V176 HydrophobicContact CZ-CG2 4.33Å; F139-I182 HydrophobicContact CB-CD1 4.22Å; F139-I182 HydrophobicContact CD2-CD1 3.63Å; F139-I182 HydrophobicContact CE2-CD1 4.32Å; F139-I182 HydrophobicContact CG-CD1 4.16Å
140	L	89.7	Confident	92.3	Very high	119 Å²	119	46.6 Å²	46.6	62%	0.623	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	114.7	-177.7	-174.3	65.7	0	0	0	111	K136 A142	K136-L140 WeakPolarHBondContact O-CB 3.26Å; K136-L140 PolarHBondContact O-N 2.97Å; L140-A142 PolarHBondContact O-N 3.13Å
141	E	86.8	Confident	92.7	Very high	158 Å²	158	45.5 Å²	45.5	74%	0.738	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	15.1	178.6	-58.4	-171.4	158.3	0	0	115.7	F139 Y143	F139-E141 PolarHBondContact O-N 2.98Å; F139-E141 VanDerWaalsContact O-N 3.09Å; E141-Y143 WeakPolarHBondContact O-CD2 3.33Å
142	A	88.6	Confident	93	Very high	32 Å²	32	43.6 Å²	43.6	26%	0.264	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-18.3	-172	0	0	0	0	0	113.5	F139 L140 R144	F139-A142 PolarHBondContact O-N 3.46Å; L140-A142 PolarHBondContact O-N 3.13Å; A142-R144 HydrophobicContact CB-CG 3.69Å; A142-R144 PolarHBondContact O-N 3.32Å; A142-R144 VanDerWaalsContact O-N 3.12Å
143	Y	94.3	Very high	93.3	Very high	107 Å²	107	40.5 Å²	40.5	42%	0.42	20%	0.201	S	C	.	.			trans	47.5	41.4	-178.9	-65.4	-89.3	0	0	0	113.2	Y110 E141 P145 I175 V176 A177	Y110-Y143 HydrophobicContact CE1-CD1 4.1Å; Y110-Y143 HydrophobicContact CE1-CE1 4.4Å; E141-Y143 WeakPolarHBondContact O-CD2 3.33Å; Y143-P145 WeakPolarHBondContact O-CD 3.43Å; Y143-I175 HydrophobicContact CD1-CG2 4.2Å; Y143-I175 WeakPolarHBondContact O-CG2 3.28Å; Y143-V176 WeakPolarHBondContact CA-O 3.39Å; Y143-A177 HydrophobicContact CD1-CB 4.34Å; Y143-A177 HydrophobicContact CE1-CB 4.17Å
144	R	96	Very high	93.5	Very high	32 Å²	32	40.7 Å²	40.7	12%	0.121	20%	0.201	C	C	.	.			trans	-68.5	125.5	-172.9	-65.3	-179.8	178.6	-71	-7.1	110.7	D35 S37 Y138 F139 A142 V176	D35-R144 IonicContact OD1-CZ 3.61Å; D35-R144 IonicContact OD1-NH1 3.59Å; D35-R144 PolarHBondContact OD1-NH1 3.29Å; D35-R144 IonicContact OD1-NH2 3.84Å; D35-R144 IonicContact OD2-CZ 3.04Å; D35-R144 VanDerWaalsContact OD2-CZ 3.28Å; D35-R144 IonicContact OD2-NH1 3.76Å; D35-R144 PolarHBondContact OD2-NH1 3.47Å; D35-R144 IonicContact OD2-NH2 3.73Å; D35-R144 PolarHBondContact OD2-NH2 3.17Å; S37-R144 PolarHBondContact OG-NH1 2.66Å; Y138-R144 PolarHBondContact O-NE 3.33Å; F139-R144 HydrophobicContact CD1-CB 4.19Å; F139-R144 HydrophobicContact CD1-CG 4.44Å; F139-R144 HydrophobicContact CE1-CB 4.2Å; A142-R144 HydrophobicContact CB-CG 3.69Å; A142-R144 PolarHBondContact O-N 3.32Å; A142-R144 VanDerWaalsContact O-N 3.12Å; R144-V176 PolarHBondContact O-N 3.06Å
145	P	96.4	Very high	93.4	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.019	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.1	166	30.4	-33.7	0	0	0	109.3	T56 V68 I70 Y143 I175	T56-P145 HydrophobicContact CG2-CB 4.19Å; T56-P145 HydrophobicContact CG2-CG 4.28Å; V68-P145 HydrophobicContact CB-CB 4.15Å; V68-P145 HydrophobicContact CG1-CB 3.68Å; V68-P145 HydrophobicContact CG1-CG 4.34Å; I70-P145 HydrophobicContact CG1-CG 3.83Å; Y143-P145 WeakPolarHBondContact O-CD 3.43Å; P145-I175 HydrophobicContact CB-CG1 4.37Å
146	I	96.4	Very high	92.9	Very high	7 Å²	7	45 Å²	45	4%	0.036	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	158.6	174.8	64.6	167.8	0	0	0	110.3	I114 F139 V165 T168 Y173 C174 V176	I114-I146 HydrophobicContact CB-CD1 4.19Å; I114-I146 HydrophobicContact CD1-CD1 3.82Å; I114-I146 HydrophobicContact CG2-CD1 3.86Å; F139-I146 HydrophobicContact CE1-CG2 4.1Å; I146-V165 HydrophobicContact CB-CG2 4.46Å; I146-V165 HydrophobicContact CD1-CG1 4.12Å; I146-V165 HydrophobicContact CD1-CG2 4.11Å; I146-T168 HydrophobicContact CD1-CG2 4.19Å; I146-T168 HydrophobicContact CG1-CG2 4.37Å; I146-Y173 VanDerWaalsContact O-CA 3.24Å; I146-Y173 WeakPolarHBondContact O-CA 3.14Å; I146-Y173 VanDerWaalsContact O-CB 3.31Å; I146-Y173 WeakPolarHBondContact O-CB 3.47Å; I146-C174 PolarHBondContact N-O 3.44Å; I146-C174 PolarHBondContact O-N 3.03Å; I146-V176 HydrophobicContact CD1-CG2 3.68Å; I146-V176 HydrophobicContact CG1-CG2 3.88Å; I146-V176 HydrophobicContact CG2-CG2 4.31Å
147	R	96.4	Very high	92.3	Very high	40 Å²	40	40.7 Å²	40.7	15%	0.151	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.8	176.7	-168.2	-178.6	178.3	-85.7	5.1	111	E66 G149 D150 V165 P172	E66-R147 WeakPolarHBondContact O-CD 3.49Å; E66-R147 PolarHBondContact O-NE 2.91Å; E66-R147 PolarHBondContact O-NH1 2.97Å; E66-R147 IonicContact OE2-CZ 3.03Å; E66-R147 IonicContact OE2-NE 2.81Å; E66-R147 IonicContact OE2-NH2 2.66Å; E66-R147 PolarHBondContact OE2-NH2 2.72Å; R147-G149 PolarHBondContact O-N 3.22Å; R147-D150 VanDerWaalsContact CB-OD2 3.31Å; R147-D150 WeakPolarHBondContact CB-OD2 3.45Å; R147-D150 PolarHBondContact N-OD2 3.29Å; R147-D150 WeakPolarHBondContact O-CB 3.08Å; R147-D150 PolarHBondContact O-N 2.95Å; R147-V165 WeakPolarHBondContact O-CB 3.3Å; R147-P172 CarbonylContact C-O 3.59Å; R147-P172 WeakPolarHBondContact CA-O 3.22Å; R147-P172 WeakPolarHBondContact CG-O 3.05Å
148	K	96.7	Very high	91.8	Very high	78 Å²	78	38.9 Å²	38.9	34%	0.339	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	126.6	170.3	-179.2	173.6	177.6	168.3	0	110.6	V166 E167 P172	K148-V166 VanDerWaalsContact CE-O 3.23Å; K148-V166 WeakPolarHBondContact CE-O 3.2Å; K148-V166 WeakPolarHBondContact CG-O 3.04Å; K148-E167 WeakPolarHBondContact CE-OE2 3.38Å; K148-E167 VanDerWaalsContact NZ-CD 3.29Å; K148-E167 IonicContact NZ-OE1 3.81Å; K148-E167 PolarHBondContact NZ-OE1 2.93Å; K148-E167 IonicContact NZ-OE2 2.8Å; K148-E167 PolarHBondContact NZ-OE2 2.95Å; K148-P172 PolarHBondContact N-O 2.85Å
149	G	94.2	Very high	91.4	Very high	19 Å²	19	42.4 Å²	42.4	20%	0.196	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-3.4	-178.1	0	0	0	0	0	115	R147 V165	R147-G149 PolarHBondContact O-N 3.22Å; G149-V165 WeakPolarHBondContact CA-O 3.39Å; G149-V165 PolarHBondContact N-O 3.17Å
150	D	96	Very high	91.2	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.07	20%	0.203	C	C	.	.			trans	-72.1	145.6	173.1	-73.1	-3	0	0	0	110.3	T67 R147 K164 V165	T67-D150 PolarHBondContact OG1-OD2 2.86Å; R147-D150 VanDerWaalsContact CB-OD2 3.31Å; R147-D150 WeakPolarHBondContact CB-OD2 3.45Å; R147-D150 PolarHBondContact N-OD2 3.29Å; R147-D150 WeakPolarHBondContact O-CB 3.08Å; R147-D150 PolarHBondContact O-N 2.95Å; D150-K164 WeakPolarHBondContact O-CA 3.44Å; D150-V165 PolarHBondContact O-N 3.2Å
151	I	96.3	Very high	91.4	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.046	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.8	169.6	-59.7	170.9	0	0	0	107.4	V87 N91 I119 E162 F163 K164 E195 L198	V87-I151 WeakPolarHBondContact CG1-O 3.2Å; N91-I151 PolarHBondContact ND2-O 2.91Å; N91-I151 PolarHBondContact OD1-N 3.32Å; N91-I151 PolarHBondContact OD1-O 2.75Å; I119-I151 HydrophobicContact CD1-CD1 4.19Å; I119-I151 HydrophobicContact CD1-CG2 4.15Å; I151-E162 HydrophobicContact CG2-CB 4.13Å; I151-E162 HydrophobicContact CG2-CG 4.5Å; I151-F163 CarbonylContact C-O 3.57Å; I151-F163 VanDerWaalsContact CA-O 3.3Å; I151-F163 WeakPolarHBondContact CA-O 3.42Å; I151-K164 HydrophobicContact CG1-CB 4.11Å; I151-K164 HydrophobicContact CG1-CD 4.37Å; I151-K164 HydrophobicContact CG1-CG 3.97Å; I151-E195 HydrophobicContact CD1-CB 4.29Å; I151-E195 VanDerWaalsContact CD1-CD 3.47Å; I151-E195 HydrophobicContact CD1-CG 3.87Å; I151-L198 HydrophobicContact CG2-CD1 4.32Å
152	F	95.7	Very high	91.8	Very high	9 Å²	9	29.1 Å²	29.1	4%	0.039	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.7	173.5	63.4	-86.5	0	0	0	111	V87 V116 L135 Y138 F139 V154 F163 V165	V87-F152 HydrophobicContact CG1-CB 4.41Å; V116-F152 HydrophobicContact CG1-CE1 3.99Å; V116-F152 HydrophobicContact CG1-CZ 4.17Å; L135-F152 HydrophobicContact CD2-CE2 3.82Å; L135-F152 HydrophobicContact CD2-CZ 3.75Å; Y138-F152 HydrophobicContact CD1-CD2 4.03Å; Y138-F152 AromaticContact CD1-CE2 3.84Å; Y138-F152 HydrophobicContact CD1-CE2 3.84Å; Y138-F152 AromaticContact CE1-CD2 3.42Å; Y138-F152 HydrophobicContact CE1-CD2 3.42Å; Y138-F152 VanDerWaalsContact CE1-CD2 3.42Å; Y138-F152 AromaticContact CE1-CE2 3.64Å; Y138-F152 HydrophobicContact CE1-CE2 3.64Å; Y138-F152 HydrophobicContact CE1-CG 4.13Å; Y138-F152 HydrophobicContact CE2-CD2 4.47Å; Y138-F152 AromaticContact CZ-CD2 3.68Å; F139-F152 HydrophobicContact CE2-CE2 4.28Å; F139-F152 AromaticContact CE2-CZ 3.99Å; F139-F152 HydrophobicContact CE2-CZ 3.99Å; F139-F152 HydrophobicContact CZ-CE1 4.29Å; F139-F152 HydrophobicContact CZ-CE2 4.13Å; F139-F152 AromaticContact CZ-CZ 3.8Å; F139-F152 HydrophobicContact CZ-CZ 3.8Å; F152-V154 HydrophobicContact CD2-CG2 3.77Å; F152-V154 HydrophobicContact CE2-CG2 3.73Å; F152-F163 HydrophobicContact CD1-CB 4.3Å; F152-F163 WeakPolarHBondContact CD1-O 3.3Å; F152-F163 HydrophobicContact CD2-CB 4.31Å; F152-F163 HydrophobicContact CE1-CB 3.74Å; F152-F163 HydrophobicContact CE2-CB 3.76Å; F152-F163 AromaticContact CE2-CD2 3.99Å; F152-F163 HydrophobicContact CE2-CD2 3.99Å; F152-F163 HydrophobicContact CE2-CG 4.17Å; F152-F163 HydrophobicContact CZ-CB 3.45Å; F152-F163 VanDerWaalsContact CZ-CB 3.45Å; F152-F163 HydrophobicContact CZ-CD2 4.41Å; F152-F163 HydrophobicContact CZ-CG 4.13Å; F152-F163 PolarHBondContact N-O 3.13Å; F152-F163 PolarHBondContact O-N 2.91Å; F152-V165 HydrophobicContact CD1-CG2 4.08Å; F152-V165 HydrophobicContact CE1-CG2 3.85Å
153	L	94	Very high	92.1	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.052	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.3	-176.1	-174.9	71.9	0	0	0	110.1	N36 V87 A160 E162 L198	N36-L153 PolarHBondContact ND2-O 3.38Å; V87-L153 HydrophobicContact CG2-CB 4.15Å; L153-A160 HydrophobicContact CD1-CB 3.84Å; L153-A160 HydrophobicContact CD2-CB 4.46Å; L153-A160 HydrophobicContact CG-CB 4.31Å; L153-E162 HydrophobicContact CD1-CG 3.64Å; L153-L198 HydrophobicContact CB-CD1 4.11Å
154	V	93.1	Very high	92.2	Very high	11 Å²	11	23.6 Å²	23.6	7%	0.067	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.6	172.1	-168.2	0	0	0	0	109.2	Y134 Y138 F152 A160 V161 F163	Y134-V154 HydrophobicContact CD1-CB 4.08Å; Y134-V154 HydrophobicContact CD1-CG1 3.93Å; Y134-V154 HydrophobicContact CG-CG1 4.43Å; Y138-V154 HydrophobicContact CD1-CG2 4.19Å; Y138-V154 HydrophobicContact CD2-CG1 4.24Å; Y138-V154 HydrophobicContact CD2-CG2 3.77Å; Y138-V154 HydrophobicContact CE2-CG2 4.23Å; Y138-V154 HydrophobicContact CG-CG1 4.4Å; Y138-V154 HydrophobicContact CG-CG2 3.74Å; F152-V154 HydrophobicContact CD2-CG2 3.77Å; F152-V154 HydrophobicContact CE2-CG2 3.73Å; V154-A160 WeakPolarHBondContact O-CA 3.45Å; V154-V161 PolarHBondContact N-O 3.29Å; V154-V161 PolarHBondContact O-N 2.77Å; V154-F163 HydrophobicContact CB-CE2 4.27Å; V154-F163 HydrophobicContact CG2-CD2 4Å; V154-F163 HydrophobicContact CG2-CE2 4.13Å
155	R	88.8	Confident	92.3	Very high	81 Å²	81	22.1 Å²	22.1	31%	0.306	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.8	178.8	-62.8	178.6	178.2	117	0.9	109.6	E34 R159 A160 K386 N387	E34-R155 IonicContact OE2-NH1 3.81Å; R155-R159 WeakPolarHBondContact CA-O 3.49Å; R155-A160 HydrophobicContact CG-CB 3.94Å; R155-K386 WeakPolarHBondContact CD-O 3.38Å; R155-N387 WeakPolarHBondContact CD-OD1 3.25Å; R155-N387 WeakPolarHBondContact CG-OD1 3.43Å
156	G	81.4	Confident	92.3	Very high	12 Å²	12	24.5 Å²	24.5	12%	0.124	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.6	152.3	-177.9	0	0	0	0	0	111.1	Y134 M158 R159	Y134-G156 PolarHBondContact OH-O 2.95Å; G156-M158 VanDerWaalsContact C-N 3.32Å; G156-M158 PolarHBondContact O-N 2.97Å; G156-R159 PolarHBondContact N-O 2.87Å; G156-R159 PolarHBondContact O-N 3.38Å
157	G	78	Confident	92.2	Very high	1 Å²	1	28 Å²	28	1%	0.01	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	39.7	177.6	0	0	0	0	0	114.8	R159 M442	G157-R159 PolarHBondContact O-N 2.87Å; G157-M442 VanDerWaalsContact O-CE 3.3Å; G157-M442 WeakPolarHBondContact O-CE 3.36Å
158	M	81.4	Confident	92.2	Very high	37 Å²	37	26.2 Å²	26.2	18%	0.182	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	15.6	-177.8	-54.7	-177.1	177	0	0	114.6	G156 N387 M388 A419 I423 M442 L445 V447	G156-M158 VanDerWaalsContact C-N 3.32Å; G156-M158 PolarHBondContact O-N 2.97Å; M158-N387 WeakPolarHBondContact CA-O 2.99Å; M158-N387 PolarHBondContact N-O 3.29Å; M158-M388 HydrophobicContact CG-CG 4.49Å; M158-A419 HydrophobicContact CE-CB 4Å; M158-A419 HydrophobicContact SD-CB 4.23Å; M158-I423 HydrophobicContact CE-CG1 4.47Å; M158-I423 HydrophobicContact SD-CD1 4.09Å; M158-M442 HydrophobicContact CB-CE 4.05Å; M158-M442 HydrophobicContact CG-CE 4.33Å; M158-M442 HydrophobicContact SD-CE 4.25Å; M158-L445 HydrophobicContact CE-CB 4.5Å; M158-V447 HydrophobicContact CE-CG2 3.68Å
159	R	85.8	Confident	92.2	Very high	99 Å²	99	25.9 Å²	25.9	37%	0.374	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	167.1	-179.9	-75.4	-174.6	168.8	-153.8	-0.5	112.1	E124 R155 G156 G157	E124-R159 PolarHBondContact O-NH1 3.48Å; R155-R159 WeakPolarHBondContact CA-O 3.49Å; G156-R159 PolarHBondContact N-O 2.87Å; G156-R159 PolarHBondContact O-N 3.38Å; G157-R159 PolarHBondContact O-N 2.87Å
160	A	90.2	Very high	92.2	Very high	11 Å²	11	26.6 Å²	26.6	9%	0.091	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.9	173.5	0	0	0	0	0	109	L153 V154 R155	L153-A160 HydrophobicContact CD1-CB 3.84Å; L153-A160 HydrophobicContact CD2-CB 4.46Å; L153-A160 HydrophobicContact CG-CB 4.31Å; V154-A160 WeakPolarHBondContact O-CA 3.45Å; R155-A160 HydrophobicContact CG-CB 3.94Å
161	V	92.7	Very high	92.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.9	-176.8	-178.7	0	0	0	0	109.6	P118 V123 I126 Y134 V154 F163	P118-V161 HydrophobicContact CB-CG1 4.27Å; V123-V161 HydrophobicContact CG1-CG1 3.52Å; V123-V161 HydrophobicContact CG1-CG2 4.4Å; I126-V161 HydrophobicContact CD1-CG2 3.91Å; Y134-V161 HydrophobicContact CD1-CB 4.43Å; Y134-V161 HydrophobicContact CD1-CG2 4.31Å; Y134-V161 HydrophobicContact CE1-CB 4.33Å; Y134-V161 HydrophobicContact CE1-CG2 3.78Å; Y134-V161 HydrophobicContact CE2-CG2 4.02Å; V154-V161 PolarHBondContact N-O 3.29Å; V154-V161 PolarHBondContact O-N 2.77Å; V161-F163 HydrophobicContact CB-CE2 3.84Å; V161-F163 HydrophobicContact CB-CZ 4.21Å; V161-F163 HydrophobicContact CG1-CD2 4.15Å; V161-F163 HydrophobicContact CG1-CE1 4.17Å; V161-F163 HydrophobicContact CG1-CE2 3.56Å; V161-F163 HydrophobicContact CG1-CZ 3.57Å
162	E	95.1	Very high	92	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.4	176.1	-70.2	-178.5	-130.7	0	0	110.1	P118 I119 T122 I151 L153 R191 S197 L198	P118-E162 CarbonylContact C-O 3.57Å; P118-E162 WeakPolarHBondContact CA-O 3.3Å; I119-E162 HydrophobicContact CB-CB 4.3Å; I119-E162 HydrophobicContact CD1-CB 3.67Å; I119-E162 WeakPolarHBondContact CD1-OE2 3.41Å; I119-E162 HydrophobicContact CG1-CB 3.94Å; I119-E162 PolarHBondContact N-O 3.04Å; T122-E162 HydrophobicContact CG2-CB 3.92Å; T122-E162 HydrophobicContact CG2-CG 3.92Å; T122-E162 PolarHBondContact OG1-N 2.86Å; I151-E162 HydrophobicContact CG2-CB 4.13Å; I151-E162 HydrophobicContact CG2-CG 4.5Å; L153-E162 HydrophobicContact CD1-CG 3.64Å; E162-R191 IonicContact OE1-CZ 2.6Å; E162-R191 IonicContact OE1-NH1 3.35Å; E162-R191 PolarHBondContact OE1-NH1 3.03Å; E162-R191 IonicContact OE1-NH2 3.94Å; E162-R191 PolarHBondContact OE1-NH2 3.28Å; E162-R191 IonicContact OE2-CZ 3.59Å; E162-R191 IonicContact OE2-NH1 3.79Å; E162-R191 PolarHBondContact OE2-NH1 2.96Å; E162-R191 IonicContact OE2-NH2 2.69Å; E162-R191 PolarHBondContact OE2-NH2 3.5Å; E162-S197 PolarHBondContact OE1-OG 3.13Å; E162-L198 HydrophobicContact CG-CB 4.31Å; E162-L198 HydrophobicContact CG-CD1 4.09Å; E162-L198 PolarHBondContact OE1-N 3.07Å
163	F	96.1	Very high	92.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133	176.4	-66	-85.4	0	0	0	110.4	L117 P118 L130 Y134 L135 I151 F152 V154 V161	L117-F163 WeakPolarHBondContact O-CA 3.47Å; P118-F163 HydrophobicContact CB-CD1 4.08Å; P118-F163 HydrophobicContact CB-CE1 3.94Å; L130-F163 HydrophobicContact CB-CZ 4.49Å; Y134-F163 HydrophobicContact CG-CE2 4.32Å; Y134-F163 HydrophobicContact CG-CZ 4.38Å; L135-F163 HydrophobicContact CD1-CE1 4.3Å; L135-F163 HydrophobicContact CD2-CD1 3.96Å; L135-F163 HydrophobicContact CD2-CD2 3.87Å; L135-F163 HydrophobicContact CD2-CE1 4.06Å; L135-F163 HydrophobicContact CD2-CE2 3.98Å; L135-F163 HydrophobicContact CD2-CG 3.85Å; L135-F163 HydrophobicContact CD2-CZ 4.07Å; L135-F163 HydrophobicContact CG-CE1 4.22Å; L135-F163 HydrophobicContact CG-CZ 4.2Å; I151-F163 CarbonylContact C-O 3.57Å; I151-F163 VanDerWaalsContact CA-O 3.3Å; I151-F163 WeakPolarHBondContact CA-O 3.42Å; F152-F163 HydrophobicContact CD1-CB 4.3Å; F152-F163 WeakPolarHBondContact CD1-O 3.3Å; F152-F163 HydrophobicContact CD2-CB 4.31Å; F152-F163 HydrophobicContact CE1-CB 3.74Å; F152-F163 HydrophobicContact CE2-CB 3.76Å; F152-F163 AromaticContact CE2-CD2 3.99Å; F152-F163 HydrophobicContact CE2-CD2 3.99Å; F152-F163 HydrophobicContact CE2-CG 4.17Å; F152-F163 HydrophobicContact CZ-CB 3.45Å; F152-F163 VanDerWaalsContact CZ-CB 3.45Å; F152-F163 HydrophobicContact CZ-CD2 4.41Å; F152-F163 HydrophobicContact CZ-CG 4.13Å; F152-F163 PolarHBondContact N-O 3.13Å; F152-F163 PolarHBondContact O-N 2.91Å; V154-F163 HydrophobicContact CB-CE2 4.27Å; V154-F163 HydrophobicContact CG2-CD2 4Å; V154-F163 HydrophobicContact CG2-CE2 4.13Å; V161-F163 HydrophobicContact CB-CE2 3.84Å; V161-F163 HydrophobicContact CB-CZ 4.21Å; V161-F163 HydrophobicContact CG1-CD2 4.15Å; V161-F163 HydrophobicContact CG1-CE1 4.17Å; V161-F163 HydrophobicContact CG1-CE2 3.56Å; V161-F163 HydrophobicContact CG1-CZ 3.57Å
164	K	96.3	Very high	92.2	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.096	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.3	174.1	-170.8	173.5	-175.5	162.2	0	110.6	V116 L117 D150 I151 V166 I189 E192 E195	V116-K164 WeakPolarHBondContact CA-O 3.49Å; L117-K164 PolarHBondContact N-O 3.49Å; L117-K164 PolarHBondContact O-N 2.96Å; D150-K164 WeakPolarHBondContact O-CA 3.44Å; I151-K164 HydrophobicContact CG1-CB 4.11Å; I151-K164 HydrophobicContact CG1-CD 4.37Å; I151-K164 HydrophobicContact CG1-CG 3.97Å; K164-V166 PolarHBondContact O-N 3.44Å; K164-I189 HydrophobicContact CB-CD1 3.4Å; K164-I189 HydrophobicContact CD-CD1 3.34Å; K164-I189 HydrophobicContact CG-CD1 3.98Å; K164-E192 IonicContact NZ-OE1 2.67Å; K164-E192 PolarHBondContact NZ-OE1 2.94Å; K164-E192 IonicContact NZ-OE2 2.69Å; K164-E195 WeakPolarHBondContact CE-OE1 3.46Å; K164-E195 IonicContact NZ-OE1 3.81Å; K164-E195 PolarHBondContact NZ-OE1 3.4Å; K164-E195 IonicContact NZ-OE2 2.98Å; K164-E195 PolarHBondContact NZ-OE2 3.3Å
165	V	96.8	Very high	92.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	102.9	174.1	-174.5	0	0	0	0	109.1	V116 I146 R147 G149 D150 F152 T168	V116-V165 HydrophobicContact CG1-CG2 4.16Å; I146-V165 HydrophobicContact CB-CG2 4.46Å; I146-V165 HydrophobicContact CD1-CG1 4.12Å; I146-V165 HydrophobicContact CD1-CG2 4.11Å; R147-V165 WeakPolarHBondContact O-CB 3.3Å; G149-V165 WeakPolarHBondContact CA-O 3.39Å; G149-V165 PolarHBondContact N-O 3.17Å; D150-V165 PolarHBondContact O-N 3.2Å; F152-V165 HydrophobicContact CD1-CG2 4.08Å; F152-V165 HydrophobicContact CE1-CG2 3.85Å; V165-T168 HydrophobicContact CG1-CG2 3.48Å; V165-T168 VanDerWaalsContact CG1-CG2 3.48Å
166	V	96	Very high	92.7	Very high	54 Å²	54	30 Å²	30	33%	0.327	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-44.4	-178.7	-177.9	0	0	0	0	110.8	H115 L117 K148 K164	H115-V166 HydrophobicContact CB-CB 4.5Å; H115-V166 PolarHBondContact O-N 2.78Å; L117-V166 HydrophobicContact CB-CG2 4.13Å; L117-V166 HydrophobicContact CD1-CG2 3.9Å; L117-V166 HydrophobicContact CG-CG2 3.91Å; K148-V166 VanDerWaalsContact CE-O 3.23Å; K148-V166 WeakPolarHBondContact CE-O 3.2Å; K148-V166 WeakPolarHBondContact CG-O 3.04Å; K164-V166 PolarHBondContact O-N 3.44Å
167	E	96.1	Very high	93.3	Very high	79 Å²	79	29.9 Å²	29.9	37%	0.369	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.8	-177.7	-163.6	61.7	-115.9	0	0	111.7	H115 K148	H115-E167 HydrophobicContact CB-CB 4.14Å; H115-E167 PolarHBondContact N-O 3.41Å; H115-E167 PolarHBondContact O-N 3.29Å; K148-E167 WeakPolarHBondContact CE-OE2 3.38Å; K148-E167 VanDerWaalsContact NZ-CD 3.29Å; K148-E167 IonicContact NZ-OE1 3.81Å; K148-E167 PolarHBondContact NZ-OE1 2.93Å; K148-E167 IonicContact NZ-OE2 2.8Å; K148-E167 PolarHBondContact NZ-OE2 2.95Å
168	T	96.5	Very high	94	Very high	4 Å²	4	34 Å²	34	3%	0.025	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.5	175.4	50.7	0	0	0	0	109.9	I114 I146 V165 P170 S171	I114-T168 HydrophobicContact CG2-CG2 4.23Å; I146-T168 HydrophobicContact CD1-CG2 4.19Å; I146-T168 HydrophobicContact CG1-CG2 4.37Å; V165-T168 HydrophobicContact CG1-CG2 3.48Å; V165-T168 VanDerWaalsContact CG1-CG2 3.48Å; T168-P170 CarbonylContact O-C 3.6Å; T168-P170 PolarHBondContact OG1-O 3.44Å; T168-S171 WeakPolarHBondContact O-CA 3.35Å; T168-S171 WeakPolarHBondContact O-CB 3.31Å; T168-S171 PolarHBondContact O-N 3.28Å
169	D	95.8	Very high	94.5	Very high	71 Å²	71	39.4 Å²	39.4	38%	0.38	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	109.4	168	178.8	12.9	0	0	0	108.5	G111 K112 R113	G111-D169 CarbonylContact C-O 3.59Å; G111-D169 WeakPolarHBondContact CA-O 3.43Å; K112-D169 PolarHBondContact N-O 3.25Å; R113-D169 HydrophobicContact CB-CB 4.37Å; R113-D169 PolarHBondContact N-O 3.36Å; R113-D169 PolarHBondContact O-N 3.03Å
170	P	95	Very high	95	Very high	34 Å²	34	35.2 Å²	35.2	22%	0.221	20%	0.201	C	C	.	.	S	Bend	cis	-76.7	146.7	3.6	28.3	-31.8	0	0	0	114.2	K109 T168 Y173 C174	K109-P170 HydrophobicContact CB-CG 3.92Å; K109-P170 HydrophobicContact CD-CG 4.46Å; T168-P170 CarbonylContact O-C 3.6Å; T168-P170 PolarHBondContact OG1-O 3.44Å; P170-Y173 CarbonylContact O-C 3.49Å; P170-Y173 VanDerWaalsContact O-O 3.09Å; P170-C174 HydrophobicContact CG-CB 4.16Å
171	S	93.7	Very high	95.1	Very high	67 Å²	67	38.1 Å²	38.1	47%	0.469	22%	0.217	S	C	.	.	S	Bend	trans	-90.6	147.2	173.7	-160.2	0	0	0	0	110.3	T168	T168-S171 WeakPolarHBondContact O-CA 3.35Å; T168-S171 WeakPolarHBondContact O-CB 3.31Å; T168-S171 PolarHBondContact O-N 3.28Å
172	P	94.5	Very high	95.2	Very high	54 Å²	54	39.5 Å²	39.5	35%	0.351	23%	0.225	S	C	.	.	S	Bend	cis	-91.9	-5	5.5	34.3	-32.5	0	0	0	115.1	R147 K148	R147-P172 CarbonylContact C-O 3.59Å; R147-P172 WeakPolarHBondContact CA-O 3.22Å; R147-P172 WeakPolarHBondContact CG-O 3.05Å; K148-P172 PolarHBondContact N-O 2.85Å
173	Y	96.3	Very high	95.1	Very high	57 Å²	57	43.4 Å²	43.4	22%	0.224	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151	-179.4	45.6	-107.5	0	0	0	111.4	V68 V108 I146 P170	V68-Y173 HydrophobicContact CG2-CD1 3.92Å; V68-Y173 HydrophobicContact CG2-CG 3.84Å; V108-Y173 HydrophobicContact CB-CD2 4.47Å; V108-Y173 HydrophobicContact CG1-CD2 4.1Å; V108-Y173 HydrophobicContact CG2-CD2 4Å; V108-Y173 HydrophobicContact CG2-CE2 4.1Å; I146-Y173 VanDerWaalsContact O-CA 3.24Å; I146-Y173 WeakPolarHBondContact O-CA 3.14Å; I146-Y173 VanDerWaalsContact O-CB 3.31Å; I146-Y173 WeakPolarHBondContact O-CB 3.47Å; P170-Y173 CarbonylContact O-C 3.49Å; P170-Y173 VanDerWaalsContact O-O 3.09Å
174	C	96.6	Very high	94.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	162.7	175.5	66.6	0	0	0	0	111.1	K109 I146 P170	K109-C174 CarbonylContact O-C 3.53Å; K109-C174 WeakPolarHBondContact O-CA 3.06Å; K109-C174 WeakPolarHBondContact O-CB 3.44Å; I146-C174 PolarHBondContact N-O 3.44Å; I146-C174 PolarHBondContact O-N 3.03Å; P170-C174 HydrophobicContact CG-CB 4.16Å
175	I	96.4	Very high	93.9	Very high	22 Å²	22	52.3 Å²	52.3	11%	0.113	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	129.2	170	-71.2	162.4	0	0	0	108.7	T56 V108 K109 Y110 G111 Y143 P145 A177	T56-I175 HydrophobicContact CG2-CD1 4.27Å; V108-I175 HydrophobicContact CB-CD1 4.19Å; V108-I175 HydrophobicContact CB-CG1 4.33Å; V108-I175 HydrophobicContact CG1-CD1 4.04Å; V108-I175 HydrophobicContact CG1-CG1 3.63Å; K109-I175 PolarHBondContact O-N 3.11Å; Y110-I175 WeakPolarHBondContact CA-O 3.34Å; Y110-I175 HydrophobicContact CD1-CB 3.88Å; Y110-I175 HydrophobicContact CD1-CG2 3.75Å; Y110-I175 HydrophobicContact CE1-CB 4.35Å; Y110-I175 HydrophobicContact CE1-CD1 4.42Å; Y110-I175 HydrophobicContact CE1-CG2 3.93Å; G111-I175 PolarHBondContact N-O 3.21Å; Y143-I175 HydrophobicContact CD1-CG2 4.2Å; Y143-I175 WeakPolarHBondContact O-CG2 3.28Å; P145-I175 HydrophobicContact CB-CG1 4.37Å; I175-A177 PolarHBondContact O-N 3.22Å
176	V	96.2	Very high	93	Very high	3 Å²	3	55 Å²	55	2%	0.018	32%	0.316	C	S	.	.			trans	-77.7	103.5	173.5	-172.1	0	0	0	0	109	I114 F139 Y143 R144 I146 T180 I182	I114-V176 HydrophobicContact CD1-CG1 4.33Å; I114-V176 HydrophobicContact CD1-CG2 3.88Å; F139-V176 HydrophobicContact CB-CG1 3.94Å; F139-V176 HydrophobicContact CD1-CB 3.72Å; F139-V176 HydrophobicContact CD1-CG1 3.7Å; F139-V176 HydrophobicContact CD1-CG2 3.84Å; F139-V176 HydrophobicContact CD2-CG1 4.47Å; F139-V176 HydrophobicContact CE1-CB 4.11Å; F139-V176 HydrophobicContact CE1-CG1 4.32Å; F139-V176 HydrophobicContact CE1-CG2 3.67Å; F139-V176 HydrophobicContact CG-CB 4.34Å; F139-V176 HydrophobicContact CG-CG1 3.8Å; F139-V176 HydrophobicContact CZ-CG2 4.33Å; Y143-V176 WeakPolarHBondContact CA-O 3.39Å; R144-V176 PolarHBondContact O-N 3.06Å; I146-V176 HydrophobicContact CD1-CG2 3.68Å; I146-V176 HydrophobicContact CG1-CG2 3.88Å; I146-V176 HydrophobicContact CG2-CG2 4.31Å; V176-T180 HydrophobicContact CG1-CG2 4.23Å; V176-I182 HydrophobicContact CG1-CD1 4.18Å
177	A	94.1	Very high	92.5	Very high	11 Å²	11	60.6 Å²	60.6	9%	0.091	34%	0.339	C	S	.	.			trans	-95.9	166.7	175.7	0	0	0	0	0	110.4	Y110 Y143 I175 D179 T180	Y110-A177 HydrophobicContact CD1-CB 3.86Å; Y110-A177 HydrophobicContact CE1-CB 4.47Å; Y110-A177 HydrophobicContact CG-CB 4.03Å; Y143-A177 HydrophobicContact CD1-CB 4.34Å; Y143-A177 HydrophobicContact CE1-CB 4.17Å; I175-A177 PolarHBondContact O-N 3.22Å; A177-D179 PolarHBondContact O-N 3Å; A177-D179 VanDerWaalsContact O-N 3.09Å; A177-T180 PolarHBondContact N-OG1 3.06Å; A177-T180 VanDerWaalsContact O-CB 3.24Å; A177-T180 WeakPolarHBondContact O-CB 3.43Å; A177-T180 PolarHBondContact O-N 3.23Å; A177-T180 PolarHBondContact O-OG1 3.47Å
178	P	92.1	Very high	92.3	Very high	87 Å²	87	59.8 Å²	59.8	57%	0.565	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-28.8	176.8	-27.9	36.2	0	0	0	114.5
179	D	92.9	Very high	92.1	Very high	151 Å²	151	61.3 Å²	61.3	81%	0.807	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.8	178.1	-63.1	-29	0	0	0	113.7	A177 V181	A177-D179 PolarHBondContact O-N 3Å; A177-D179 VanDerWaalsContact O-N 3.09Å; D179-V181 PolarHBondContact O-N 3.3Å
180	T	94.8	Very high	92	Very high	10 Å²	10	67.9 Å²	67.9	6%	0.061	37%	0.368	C	S	.	.			trans	-72.6	123.1	-179.1	-57.8	0	0	0	0	110.2	G111 I114 V176 A177	G111-T180 WeakPolarHBondContact O-CA 3.43Å; G111-T180 WeakPolarHBondContact O-CB 3.2Å; G111-T180 WeakPolarHBondContact O-CG2 3.46Å; G111-T180 PolarHBondContact O-OG1 3.06Å; I114-T180 HydrophobicContact CG1-CG2 4.28Å; I114-T180 HydrophobicContact CG2-CG2 3.9Å; V176-T180 HydrophobicContact CG1-CG2 4.23Å; A177-T180 PolarHBondContact N-OG1 3.06Å; A177-T180 VanDerWaalsContact O-CB 3.24Å; A177-T180 WeakPolarHBondContact O-CB 3.43Å; A177-T180 PolarHBondContact O-N 3.23Å; A177-T180 PolarHBondContact O-OG1 3.47Å
181	V	94.2	Very high	91.8	Very high	72 Å²	72	68.4 Å²	68.4	44%	0.436	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.1	177.7	-174.3	0	0	0	0	109.9	K112 R113 I114 D179	K112-V181 PolarHBondContact O-N 3.41Å; R113-V181 CarbonylContact C-O 3.52Å; R113-V181 VanDerWaalsContact CA-O 3.26Å; R113-V181 WeakPolarHBondContact CA-O 3.37Å; R113-V181 HydrophobicContact CG-CB 4.3Å; I114-V181 PolarHBondContact N-O 3.09Å; D179-V181 PolarHBondContact O-N 3.3Å
182	I	94.9	Very high	91.6	Very high	30 Å²	30	69.4 Å²	69.4	15%	0.154	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.5	-177.7	-51.9	-178.4	0	0	0	108.7	I114 V116 F131 L135 F139 V176	I114-I182 HydrophobicContact CD1-CB 4.37Å; I114-I182 HydrophobicContact CD1-CD1 4.24Å; I114-I182 HydrophobicContact CD1-CG1 3.87Å; I114-I182 HydrophobicContact CD1-CG2 4.02Å; I114-I182 HydrophobicContact CG1-CB 4.08Å; I114-I182 HydrophobicContact CG1-CG1 3.82Å; I114-I182 HydrophobicContact CG1-CG2 4.01Å; V116-I182 HydrophobicContact CG2-CG2 4.05Å; F131-I182 HydrophobicContact CD2-CB 4.24Å; F131-I182 HydrophobicContact CD2-CG2 4.01Å; F131-I182 HydrophobicContact CE2-CB 3.67Å; F131-I182 HydrophobicContact CE2-CD1 4.01Å; F131-I182 HydrophobicContact CE2-CG1 4.28Å; F131-I182 HydrophobicContact CE2-CG2 3.89Å; L135-I182 HydrophobicContact CD1-CG2 4.24Å; F139-I182 HydrophobicContact CB-CD1 4.22Å; F139-I182 HydrophobicContact CD2-CD1 3.63Å; F139-I182 HydrophobicContact CE2-CD1 4.32Å; F139-I182 HydrophobicContact CG-CD1 4.16Å; V176-I182 HydrophobicContact CG1-CD1 4.18Å
183	H	92.9	Very high	91	Very high	83 Å²	83	75.2 Å²	75.2	38%	0.384	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.4	173.7	-63.9	-175.2	0	0	0	109.1	I114 H115 V116	I114-H183 PolarHBondContact O-N 2.96Å; H115-H183 WeakPolarHBondContact CA-O 3.16Å; H115-H183 HydrophobicContact CB-CB 4.49Å; H115-H183 PolarHBondContact CD2-O 2.92Å; V116-H183 PolarHBondContact N-O 3.25Å
184	C	88.3	Confident	90.3	Very high	41 Å²	41	77 Å²	77	28%	0.277	40%	0.401	S	S	.	.			trans	-124.6	12.3	174	69.2	0	0	0	0	112.8	V116 F131 L135	V116-C184 WeakPolarHBondContact O-CA 3.49Å; F131-C184 HydrophobicContact CB-CB 4.47Å; F131-C184 VanDerWaalsContact CB-SG 3.58Å; L135-C184 HydrophobicContact CD1-CB 3.84Å
185	E	78.9	Confident	89.7	Confident	168 Å²	168	77.4 Å²	77.4	79%	0.785	40%	0.403	S	S	*	.			trans	-77.4	126.4	-178.8	-61.8	178.1	-175.2	0	0	110.1	H115	H115-E185 PolarHBondContact NE2-O 2.82Å; H115-E185 VanDerWaalsContact NE2-O 3.1Å
186	G	76.5	Confident	89.1	Confident	56 Å²	56	79.8 Å²	79.8	58%	0.577	41%	0.414	S	S	*	.	S	Bend	trans	151.3	168.1	178.1	0	0	0	0	0	112.6
187	E	85.8	Confident	88.6	Confident	172 Å²	172	80.6 Å²	80.6	80%	0.804	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-72.8	145.6	170	-70.2	-171.7	169.5	0	0	110.3
188	P	91.6	Very high	88.1	Confident	63 Å²	63	80.9 Å²	80.9	41%	0.409	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-53.5	142.8	171.7	-24.6	34.2	0	0	0	111.7	P118 D120 V123	P118-P188 HydrophobicContact CG-CB 4.2Å; P118-P188 HydrophobicContact CG-CG 4.2Å; P118-P188 CarbonylContact O-C 3.47Å; P118-P188 VanDerWaalsContact O-CA 3.31Å; P118-P188 WeakPolarHBondContact O-CA 3.46Å; D120-P188 HydrophobicContact CB-CB 3.87Å; V123-P188 HydrophobicContact CG2-CB 3.93Å; V123-P188 HydrophobicContact CG2-CG 3.76Å
189	I	93.4	Very high	87.6	Confident	36 Å²	36	81.2 Å²	81.2	19%	0.185	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-90	144.7	-178.6	55.6	163.8	0	0	0	110.7	L117 P118 I119 D120 K164	L117-I189 HydrophobicContact CB-CG2 4.03Å; L117-I189 HydrophobicContact CD1-CG2 3.78Å; P118-I189 VanDerWaalsContact O-CG1 3.32Å; P118-I189 WeakPolarHBondContact O-CG1 3.46Å; P118-I189 PolarHBondContact O-N 2.92Å; I119-I189 WeakPolarHBondContact CA-O 3.43Å; I119-I189 HydrophobicContact CG1-CD1 4.36Å; I119-I189 HydrophobicContact CG1-CG1 4.29Å; D120-I189 PolarHBondContact N-O 3.39Å; K164-I189 HydrophobicContact CB-CD1 3.4Å; K164-I189 HydrophobicContact CD-CD1 3.34Å; K164-I189 HydrophobicContact CG-CD1 3.98Å
190	R	92.2	Very high	87.3	Confident	209 Å²	209	77.7 Å²	77.7	79%	0.789	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-72.5	137.5	168.9	-78.3	174.5	-177.1	-176.2	3.7	110.4	D120 E192	D120-R190 WeakPolarHBondContact OD2-CG 3.41Å; R190-E192 PolarHBondContact O-N 2.77Å
191	R	90.9	Very high	86.9	Confident	44 Å²	44	78.6 Å²	78.6	17%	0.166	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-58.6	132.8	171.9	-169.4	175.4	-62.8	-80.4	2.5	110.7	I119 D121 E162 E195	I119-R191 HydrophobicContact CG2-CB 3.99Å; D121-R191 IonicContact OD1-CZ 2.82Å; D121-R191 IonicContact OD1-NE 3.87Å; D121-R191 IonicContact OD1-NH2 2.69Å; D121-R191 PolarHBondContact OD1-NH2 3.01Å; D121-R191 IonicContact OD2-CZ 3.57Å; D121-R191 IonicContact OD2-NE 2.85Å; D121-R191 PolarHBondContact OD2-NE 3.04Å; D121-R191 IonicContact OD2-NH2 3.67Å; D121-R191 PolarHBondContact OD2-NH2 3.02Å; E162-R191 IonicContact OE1-CZ 2.6Å; E162-R191 IonicContact OE1-NH1 3.35Å; E162-R191 PolarHBondContact OE1-NH1 3.03Å; E162-R191 IonicContact OE1-NH2 3.94Å; E162-R191 PolarHBondContact OE1-NH2 3.28Å; E162-R191 IonicContact OE2-CZ 3.59Å; E162-R191 IonicContact OE2-NH1 3.79Å; E162-R191 PolarHBondContact OE2-NH1 2.96Å; E162-R191 IonicContact OE2-NH2 2.69Å; E162-R191 PolarHBondContact OE2-NH2 3.5Å; R191-E195 VanDerWaalsContact CD-O 3.25Å; R191-E195 WeakPolarHBondContact CD-O 3.43Å; R191-E195 HydrophobicContact CG-CB 3.93Å; R191-E195 WeakPolarHBondContact CG-O 3.41Å
192	E	89.6	Confident	86.7	Confident	88 Å²	88	75.1 Å²	75.1	41%	0.411	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-76.1	149.7	174.7	-64.1	177.9	-167	0	0	110.9	K164 R190 E194 E195	K164-E192 IonicContact NZ-OE1 2.67Å; K164-E192 PolarHBondContact NZ-OE1 2.94Å; K164-E192 IonicContact NZ-OE2 2.69Å; R190-E192 PolarHBondContact O-N 2.77Å; E192-E194 PolarHBondContact O-N 2.98Å; E192-E195 HydrophobicContact CB-CB 4.38Å; E192-E195 HydrophobicContact CB-CG 4.03Å; E192-E195 PolarHBondContact N-OE2 3.03Å; E192-E195 WeakPolarHBondContact O-CA 3.49Å; E192-E195 WeakPolarHBondContact O-CB 3.38Å; E192-E195 PolarHBondContact O-N 3.02Å
193	D	82.3	Confident	86.4	Confident	177 Å²	177	73.9 Å²	73.9	95%	0.947	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24	-179.5	-65.9	-24.2	0	0	0	114
194	E	81.3	Confident	86.2	Confident	94 Å²	94	72.6 Å²	72.6	44%	0.439	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.3	176.7	-54.4	-160.9	141.7	0	0	113.7	K63 R93 E192	K63-E194 IonicContact NZ-OE1 2.7Å; K63-E194 PolarHBondContact NZ-OE1 3.28Å; K63-E194 IonicContact NZ-OE2 3.89Å; K63-E194 PolarHBondContact NZ-OE2 2.72Å; R93-E194 PolarHBondContact NE-O 3.21Å; E192-E194 PolarHBondContact O-N 2.98Å
195	E	83.9	Confident	86.3	Confident	8 Å²	8	72.2 Å²	72.2	4%	0.037	36%	0.364	C	S	.	.			trans	-103.3	111.2	-179.2	-72	170.7	169.4	0	0	109.4	R93 I151 K164 R191 E192	R93-E195 IonicContact NH2-OE1 2.72Å; I151-E195 HydrophobicContact CD1-CB 4.29Å; I151-E195 VanDerWaalsContact CD1-CD 3.47Å; I151-E195 HydrophobicContact CD1-CG 3.87Å; K164-E195 WeakPolarHBondContact CE-OE1 3.46Å; K164-E195 IonicContact NZ-OE1 3.81Å; K164-E195 PolarHBondContact NZ-OE1 3.4Å; K164-E195 IonicContact NZ-OE2 2.98Å; K164-E195 PolarHBondContact NZ-OE2 3.3Å; R191-E195 VanDerWaalsContact CD-O 3.25Å; R191-E195 WeakPolarHBondContact CD-O 3.43Å; R191-E195 HydrophobicContact CG-CB 3.93Å; R191-E195 WeakPolarHBondContact CG-O 3.41Å; E192-E195 HydrophobicContact CB-CB 4.38Å; E192-E195 HydrophobicContact CB-CG 4.03Å; E192-E195 PolarHBondContact N-OE2 3.03Å; E192-E195 WeakPolarHBondContact O-CA 3.49Å; E192-E195 WeakPolarHBondContact O-CB 3.38Å; E192-E195 PolarHBondContact O-N 3.02Å
196	E	84	Confident	86.9	Confident	73 Å²	73	65.3 Å²	65.3	34%	0.341	33%	0.332	S	S	.	.			trans	-80.6	143.3	174.3	-72.2	167.7	-173.9	0	0	110.8	R95	R95-E196 IonicContact CZ-OE1 2.77Å; R95-E196 IonicContact CZ-OE2 3.48Å; R95-E196 IonicContact NH1-OE1 2.77Å; R95-E196 IonicContact NH1-OE2 2.89Å; R95-E196 PolarHBondContact NH1-OE2 3.25Å; R95-E196 IonicContact NH2-OE1 3.28Å; R95-E196 PolarHBondContact NH2-OE1 3.04Å; R95-E196 IonicContact NH2-OE2 3.73Å; R95-E196 PolarHBondContact NH2-OE2 3.06Å
197	S	86.8	Confident	87.7	Confident	20 Å²	20	63.2 Å²	63.2	14%	0.14	31%	0.31	C	S	.	.			trans	-66.7	134.5	176.1	-176.7	0	0	0	0	111	E162 N199 E200	E162-S197 PolarHBondContact OE1-OG 3.13Å; S197-N199 PolarHBondContact O-N 2.64Å; S197-N199 WeakPolarHBondContact OG-CB 3.27Å; S197-N199 PolarHBondContact OG-N 3.23Å; S197-E200 PolarHBondContact O-N 2.94Å
198	L	82.9	Confident	87.8	Confident	17 Å²	17	56 Å²	56	9%	0.089	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9	173	-68.3	166.3	0	0	0	111.7	R86 V87 N90 I151 L153 E162	R86-L198 HydrophobicContact CB-CD2 4.49Å; R86-L198 HydrophobicContact CG-CD2 4.08Å; V87-L198 HydrophobicContact CG2-CD1 3.94Å; V87-L198 HydrophobicContact CG2-CD2 4.22Å; N90-L198 HydrophobicContact CB-CD2 4.27Å; N90-L198 VanDerWaalsContact ND2-CD2 3.26Å; N90-L198 WeakPolarHBondContact ND2-CD2 3.34Å; I151-L198 HydrophobicContact CG2-CD1 4.32Å; L153-L198 HydrophobicContact CB-CD1 4.11Å; E162-L198 HydrophobicContact CG-CB 4.31Å; E162-L198 HydrophobicContact CG-CD1 4.09Å; E162-L198 PolarHBondContact OE1-N 3.07Å
199	N	82.1	Confident	87.7	Confident	93 Å²	93	53.5 Å²	53.5	50%	0.497	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.4	172.2	-71.2	-23.3	0	0	0	113.6	S197	S197-N199 PolarHBondContact O-N 2.64Å; S197-N199 WeakPolarHBondContact OG-CB 3.27Å; S197-N199 PolarHBondContact OG-N 3.23Å
200	E	85.3	Confident	87.3	Confident	78 Å²	78	60.4 Å²	60.4	36%	0.364	29%	0.289	S	S	.	.	S	Bend	trans	-64.5	147.1	173	-77.1	-177.8	179.4	0	0	110.7	R86 S197 G202	R86-E200 PolarHBondContact NH1-O 3.44Å; R86-E200 PolarHBondContact NH2-O 3.48Å; S197-E200 PolarHBondContact O-N 2.94Å; E200-G202 PolarHBondContact O-N 3.16Å
201	V	87.9	Confident	87	Confident	28 Å²	28	57 Å²	57	17%	0.17	28%	0.28	C	S	.	.			trans	-64.5	131.2	-179.1	-174.9	0	0	0	0	111.6	D205 L253 R256 A257 N260	V201-D205 WeakPolarHBondContact CA-OD2 3.35Å; V201-D205 HydrophobicContact CG1-CB 4.13Å; V201-L253 HydrophobicContact CB-CD1 4.34Å; V201-L253 HydrophobicContact CG1-CD1 3.47Å; V201-L253 VanDerWaalsContact CG1-CD1 3.47Å; V201-L253 HydrophobicContact CG1-CG 3.87Å; V201-L253 HydrophobicContact CG2-CD1 3.89Å; V201-R256 HydrophobicContact CB-CG 4.45Å; V201-A257 HydrophobicContact CG1-CB 3.96Å; V201-N260 WeakPolarHBondContact O-CB 3.43Å; V201-N260 PolarHBondContact O-ND2 3.34Å
202	G	89.2	Confident	86.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.283	C	S	.	.			trans	-127	-172.3	174.5	0	0	0	0	0	113.3	R86 E200 D204 D205 A257	R86-G202 VanDerWaalsContact NH1-CA 3.33Å; R86-G202 VanDerWaalsContact NH1-N 3.18Å; E200-G202 PolarHBondContact O-N 3.16Å; G202-D204 VanDerWaalsContact C-N 3.25Å; G202-D204 PolarHBondContact O-N 3.12Å; G202-D205 PolarHBondContact N-OD2 3.16Å; G202-D205 PolarHBondContact O-N 3.32Å; G202-A257 WeakPolarHBondContact O-CB 3.47Å
203	Y	89.5	Confident	86.8	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.016	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-69.6	-26.7	175.5	-64.4	-37.3	0	0	0	112.7	E30 L96 D205 I206 L213 K217 A257 V258 E261	E30-Y203 VanDerWaalsContact OE1-CB 3.29Å; E30-Y203 WeakPolarHBondContact OE1-CB 3.33Å; L96-Y203 HydrophobicContact CD1-CD2 3.73Å; L96-Y203 HydrophobicContact CD1-CE2 3.87Å; Y203-D205 PolarHBondContact O-N 3.3Å; Y203-I206 HydrophobicContact CD1-CD1 4.47Å; Y203-I206 PolarHBondContact O-N 3Å; Y203-L213 HydrophobicContact CD1-CD1 3.77Å; Y203-L213 HydrophobicContact CD1-CD2 3.86Å; Y203-L213 HydrophobicContact CD1-CG 4.21Å; Y203-L213 HydrophobicContact CE1-CD1 3.76Å; Y203-L213 HydrophobicContact CE1-CG 4.4Å; Y203-L213 HydrophobicContact CG-CD2 4.13Å; Y203-K217 HydrophobicContact CE2-CD 4.21Å; Y203-K217 HydrophobicContact CE2-CG 4.17Å; Y203-A257 HydrophobicContact CD1-CB 4.12Å; Y203-A257 HydrophobicContact CE1-CB 4.37Å; Y203-V258 HydrophobicContact CE1-CB 4.38Å; Y203-V258 HydrophobicContact CE1-CG2 3.74Å; Y203-E261 HydrophobicContact CD1-CG 4.21Å; Y203-E261 HydrophobicContact CD2-CB 4.03Å; Y203-E261 HydrophobicContact CD2-CG 3.6Å; Y203-E261 HydrophobicContact CE1-CB 4.33Å; Y203-E261 HydrophobicContact CE1-CG 4.25Å; Y203-E261 HydrophobicContact CE2-CB 3.5Å; Y203-E261 HydrophobicContact CE2-CG 3.64Å; Y203-E261 HydrophobicContact CG-CG 3.9Å
204	D	87.4	Confident	87	Confident	55 Å²	55	48 Å²	48	29%	0.294	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-69	-8.1	173.7	56.2	-48.4	0	0	0	113.8	R86 G202	R86-D204 IonicContact NH1-OD1 2.97Å; G202-D204 VanDerWaalsContact C-N 3.25Å; G202-D204 PolarHBondContact O-N 3.12Å
205	D	90.5	Very high	87.3	Confident	34 Å²	34	48.4 Å²	48.4	18%	0.182	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-99.9	7.2	174.4	-59.7	-56.4	0	0	0	113	R86 V201 G202 Y203 K386	R86-D205 IonicContact NH1-OD2 3.5Å; V201-D205 WeakPolarHBondContact CA-OD2 3.35Å; V201-D205 HydrophobicContact CG1-CB 4.13Å; G202-D205 PolarHBondContact N-OD2 3.16Å; G202-D205 PolarHBondContact O-N 3.32Å; Y203-D205 PolarHBondContact O-N 3.3Å; D205-K386 IonicContact OD1-NZ 3.29Å; D205-K386 PolarHBondContact OD1-NZ 2.89Å
206	I	92.8	Very high	87.6	Confident	23 Å²	23	48 Å²	48	12%	0.118	24%	0.244	C	C	.	.			trans	-121.9	116.7	-175.4	-58.5	169.8	0	0	0	110.6	Y203 V209 L213 L253 I254 A257	Y203-I206 HydrophobicContact CD1-CD1 4.47Å; Y203-I206 PolarHBondContact O-N 3Å; I206-V209 HydrophobicContact CG2-CG2 3.29Å; I206-L213 HydrophobicContact CD1-CD1 4.4Å; I206-L253 HydrophobicContact CG1-CD2 4.13Å; I206-L253 HydrophobicContact CG1-CG 4.35Å; I206-I254 HydrophobicContact CD1-CB 4.36Å; I206-I254 HydrophobicContact CD1-CG1 4.01Å; I206-I254 HydrophobicContact CG2-CG1 4.19Å; I206-A257 HydrophobicContact CD1-CB 3.42Å; I206-A257 VanDerWaalsContact CD1-CB 3.42Å; I206-A257 HydrophobicContact CG1-CB 4.43Å
207	G	91.9	Very high	87.7	Confident	11 Å²	11	46.2 Å²	46.2	11%	0.113	24%	0.236	C	C	.	.			trans	-108.9	154.1	176.1	0	0	0	0	0	113.6	V209 I383	G207-V209 VanDerWaalsContact C-N 3.34Å; G207-V209 PolarHBondContact O-N 2.88Å; G207-I383 VanDerWaalsContact N-CD1 3.3Å
208	G	88.4	Confident	87.5	Confident	20 Å²	20	51.6 Å²	51.6	21%	0.206	26%	0.258	C	S	.	.	S	Bend	trans	78.3	1.2	167.2	0	0	0	0	0	117.4	E379	G208-E379 PolarHBondContact N-OE2 3.47Å
209	V	89	Confident	87.6	Confident	12 Å²	12	51.9 Å²	51.9	7%	0.073	26%	0.26	C	S	.	.			trans	-128.1	35.7	-175.5	-66.4	0	0	0	0	113.4	I206 G207 K211 Q212 L213 I254 I369	I206-V209 HydrophobicContact CG2-CG2 3.29Å; G207-V209 VanDerWaalsContact C-N 3.34Å; G207-V209 PolarHBondContact O-N 2.88Å; V209-K211 PolarHBondContact O-N 2.87Å; V209-Q212 HydrophobicContact CB-CB 4.32Å; V209-Q212 PolarHBondContact O-N 2.7Å; V209-Q212 PolarHBondContact O-OE1 2.59Å; V209-L213 WeakPolarHBondContact O-CB 3.24Å; V209-L213 PolarHBondContact O-N 2.66Å; V209-I254 HydrophobicContact CG2-CD1 4.18Å; V209-I369 HydrophobicContact CG1-CG2 4.16Å
210	R	85.8	Confident	87.9	Confident	180 Å²	180	47.5 Å²	47.5	68%	0.679	24%	0.236	S	C	*	.	H	α-helix	trans	-54.7	-44.3	-174.8	-63.2	-177.6	-175.7	-162.2	-1.7	113.6	L213 A214 E379	R210-L213 PolarHBondContact O-N 2.98Å; R210-A214 WeakPolarHBondContact O-CB 3.15Å; R210-A214 PolarHBondContact O-N 3.45Å; R210-E379 IonicContact CZ-OE1 3.57Å; R210-E379 IonicContact NE-OE1 3.92Å; R210-E379 PolarHBondContact NE-OE1 2.93Å; R210-E379 IonicContact NE-OE2 2.66Å; R210-E379 IonicContact NH2-OE1 2.7Å; R210-E379 PolarHBondContact NH2-OE1 3.45Å
211	K	84.7	Confident	87.6	Confident	137 Å²	137	45.5 Å²	45.5	60%	0.596	23%	0.227	S	C	*	.	H	α-helix	trans	-65.2	-44.7	-178.9	-69.8	179.4	-179.3	172	0	111.5	V209 A214 Q215	V209-K211 PolarHBondContact O-N 2.87Å; K211-A214 PolarHBondContact O-N 3.01Å; K211-Q215 WeakPolarHBondContact O-CG 3.48Å; K211-Q215 PolarHBondContact O-N 3.17Å
212	Q	88.7	Confident	87.1	Confident	50 Å²	50	47.4 Å²	47.4	23%	0.234	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-44.4	178.6	-64.8	78.6	-4.3	0	0	110.4	V209 A214 Q215 I216 V367 D368 I369	V209-Q212 HydrophobicContact CB-CB 4.32Å; V209-Q212 PolarHBondContact O-N 2.7Å; V209-Q212 PolarHBondContact O-OE1 2.59Å; Q212-A214 VanDerWaalsContact C-N 3.32Å; Q212-A214 PolarHBondContact O-N 2.84Å; Q212-Q215 PolarHBondContact O-N 3.38Å; Q212-I216 WeakPolarHBondContact O-CG1 3.29Å; Q212-I216 PolarHBondContact O-N 3.34Å; Q212-V367 HydrophobicContact CB-CG1 3.89Å; Q212-V367 HydrophobicContact CG-CG1 4Å; Q212-D368 WeakPolarHBondContact CG-O 3.42Å; Q212-D368 PolarHBondContact NE2-O 2.89Å; Q212-I369 HydrophobicContact CB-CD1 3.78Å; Q212-I369 HydrophobicContact CG-CD1 3.89Å
213	L	88.4	Confident	86.7	Confident	14 Å²	14	47.8 Å²	47.8	7%	0.073	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-39.5	178.6	-166.3	65.5	0	0	0	111.6	Y203 I206 V209 R210 I216 K217 I254	Y203-L213 HydrophobicContact CD1-CD1 3.77Å; Y203-L213 HydrophobicContact CD1-CD2 3.86Å; Y203-L213 HydrophobicContact CD1-CG 4.21Å; Y203-L213 HydrophobicContact CE1-CD1 3.76Å; Y203-L213 HydrophobicContact CE1-CG 4.4Å; Y203-L213 HydrophobicContact CG-CD2 4.13Å; I206-L213 HydrophobicContact CD1-CD1 4.4Å; V209-L213 WeakPolarHBondContact O-CB 3.24Å; V209-L213 PolarHBondContact O-N 2.66Å; R210-L213 PolarHBondContact O-N 2.98Å; L213-I216 PolarHBondContact O-N 2.95Å; L213-K217 HydrophobicContact CG-CD 4.46Å; L213-K217 WeakPolarHBondContact O-CB 3.31Å; L213-K217 VanDerWaalsContact O-CG 3.3Å; L213-K217 WeakPolarHBondContact O-CG 3.5Å; L213-K217 PolarHBondContact O-N 3.27Å; L213-I254 HydrophobicContact CD1-CG2 4.2Å
214	A	86.8	Confident	86.4	Confident	57 Å²	57	48.3 Å²	48.3	47%	0.471	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-43.6	174.8	0	0	0	0	0	112.6	R210 K211 Q212 K217 E218	R210-A214 WeakPolarHBondContact O-CB 3.15Å; R210-A214 PolarHBondContact O-N 3.45Å; K211-A214 PolarHBondContact O-N 3.01Å; Q212-A214 VanDerWaalsContact C-N 3.32Å; Q212-A214 PolarHBondContact O-N 2.84Å; A214-K217 PolarHBondContact O-N 3.04Å; A214-E218 PolarHBondContact O-N 2.88Å
215	Q	88.2	Confident	85.9	Confident	102 Å²	102	48.3 Å²	48.3	48%	0.477	24%	0.237	S	C	.	.	H	α-helix	trans	-63	-42.8	175.5	-67.4	178.5	15.4	0	0	111.5	K211 Q212 E218 M219	K211-Q215 WeakPolarHBondContact O-CG 3.48Å; K211-Q215 PolarHBondContact O-N 3.17Å; Q212-Q215 PolarHBondContact O-N 3.38Å; Q215-E218 PolarHBondContact O-N 2.66Å; Q215-M219 HydrophobicContact CB-CE 4.1Å; Q215-M219 WeakPolarHBondContact O-CB 3.36Å; Q215-M219 WeakPolarHBondContact O-CE 3.39Å; Q215-M219 VanDerWaalsContact O-CG 3.28Å; Q215-M219 WeakPolarHBondContact O-CG 3.26Å; Q215-M219 PolarHBondContact O-N 3.08Å
216	I	90.2	Very high	85.3	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-43	178.9	-64.4	166.7	0	0	0	110.7	Q212 L213 E218 M219 V220 L243 I254 V258 M344 V367	Q212-I216 WeakPolarHBondContact O-CG1 3.29Å; Q212-I216 PolarHBondContact O-N 3.34Å; L213-I216 PolarHBondContact O-N 2.95Å; I216-E218 VanDerWaalsContact C-N 3.35Å; I216-E218 PolarHBondContact O-N 3.5Å; I216-M219 PolarHBondContact O-N 3.43Å; I216-V220 HydrophobicContact CG2-CG2 3.94Å; I216-V220 VanDerWaalsContact O-CB 3.29Å; I216-V220 WeakPolarHBondContact O-CB 3.24Å; I216-V220 WeakPolarHBondContact O-CG2 3.47Å; I216-V220 PolarHBondContact O-N 3.34Å; I216-L243 HydrophobicContact CD1-CD2 3.77Å; I216-L243 HydrophobicContact CG1-CD2 4.41Å; I216-I254 HydrophobicContact CD1-CG2 3.65Å; I216-V258 HydrophobicContact CG2-CG1 4.4Å; I216-V258 HydrophobicContact CG2-CG2 3.67Å; I216-M344 HydrophobicContact CG2-CE 4.14Å; I216-V367 HydrophobicContact CD1-CG1 4.34Å; I216-V367 HydrophobicContact CG1-CG1 4.45Å; I216-V367 HydrophobicContact CG1-CG2 4.26Å
217	K	85.1	Confident	84.5	Confident	36 Å²	36	52 Å²	52	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-53.9	-50.8	173.5	-77.1	174.1	174.8	-179.8	0	110.4	E30 Y203 L213 A214 M219 V220 E221	E30-K217 IonicContact OE2-NZ 3.72Å; E30-K217 PolarHBondContact OE2-NZ 2.68Å; Y203-K217 HydrophobicContact CE2-CD 4.21Å; Y203-K217 HydrophobicContact CE2-CG 4.17Å; L213-K217 HydrophobicContact CG-CD 4.46Å; L213-K217 WeakPolarHBondContact O-CB 3.31Å; L213-K217 VanDerWaalsContact O-CG 3.3Å; L213-K217 WeakPolarHBondContact O-CG 3.5Å; L213-K217 PolarHBondContact O-N 3.27Å; A214-K217 PolarHBondContact O-N 3.04Å; K217-M219 PolarHBondContact O-N 2.8Å; K217-V220 PolarHBondContact O-N 3.05Å; K217-E221 WeakPolarHBondContact O-CA 3.5Å; K217-E221 WeakPolarHBondContact O-CB 3.45Å; K217-E221 PolarHBondContact O-N 3.29Å
218	E	82.8	Confident	83.7	Confident	132 Å²	132	55.2 Å²	55.2	62%	0.617	28%	0.282	S	S	*	.	H	α-helix	trans	-60.5	-44.6	178.3	-170.2	-173.7	164.8	0	0	112.7	A214 Q215 I216 L222	A214-E218 PolarHBondContact O-N 2.88Å; Q215-E218 PolarHBondContact O-N 2.66Å; I216-E218 VanDerWaalsContact C-N 3.35Å; I216-E218 PolarHBondContact O-N 3.5Å; E218-L222 HydrophobicContact CG-CD1 3.9Å
219	M	86	Confident	83.2	Confident	24 Å²	24	58 Å²	58	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-73.9	-27.8	-175.9	-69.4	-174.3	-67.7	0	0	113.8	Q215 I216 K217 P223 P238 I241 R365 V367	Q215-M219 HydrophobicContact CB-CE 4.1Å; Q215-M219 WeakPolarHBondContact O-CB 3.36Å; Q215-M219 WeakPolarHBondContact O-CE 3.39Å; Q215-M219 VanDerWaalsContact O-CG 3.28Å; Q215-M219 WeakPolarHBondContact O-CG 3.26Å; Q215-M219 PolarHBondContact O-N 3.08Å; I216-M219 PolarHBondContact O-N 3.43Å; K217-M219 PolarHBondContact O-N 2.8Å; M219-P223 WeakPolarHBondContact O-CD 3.4Å; M219-P223 WeakPolarHBondContact O-CG 3.26Å; M219-P238 HydrophobicContact CB-CG 4.1Å; M219-P238 WeakPolarHBondContact O-CG 3.23Å; M219-I241 HydrophobicContact CB-CD1 3.86Å; M219-I241 HydrophobicContact CE-CD1 4.43Å; M219-I241 HydrophobicContact CE-CG2 4.44Å; M219-R365 HydrophobicContact SD-CB 3.71Å; M219-R365 HydrophobicContact SD-CG 3.52Å; M219-R365 VanDerWaalsContact SD-CG 3.52Å; M219-V367 HydrophobicContact CE-CG2 3.72Å
220	V	86.8	Confident	82.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-108.5	-45.8	-171.9	-179.4	0	0	0	0	112.6	I216 K217 P223 L224 I241 V258 I300 I342 M344	I216-V220 HydrophobicContact CG2-CG2 3.94Å; I216-V220 VanDerWaalsContact O-CB 3.29Å; I216-V220 WeakPolarHBondContact O-CB 3.24Å; I216-V220 WeakPolarHBondContact O-CG2 3.47Å; I216-V220 PolarHBondContact O-N 3.34Å; K217-V220 PolarHBondContact O-N 3.05Å; V220-P223 WeakPolarHBondContact O-CD 3.49Å; V220-L224 HydrophobicContact CG1-CD1 3.5Å; V220-L224 VanDerWaalsContact CG1-CD1 3.5Å; V220-L224 HydrophobicContact CG1-CG 4.46Å; V220-L224 WeakPolarHBondContact O-CB 3.42Å; V220-L224 WeakPolarHBondContact O-CD1 3.13Å; V220-L224 VanDerWaalsContact O-CG 3.27Å; V220-L224 WeakPolarHBondContact O-CG 3.47Å; V220-L224 PolarHBondContact O-N 3.25Å; V220-I241 HydrophobicContact CG2-CD1 3.24Å; V220-V258 HydrophobicContact CB-CG1 3.99Å; V220-V258 HydrophobicContact CG1-CG1 3.48Å; V220-V258 VanDerWaalsContact CG1-CG1 3.48Å; V220-V258 HydrophobicContact CG2-CG1 4.44Å; V220-I300 HydrophobicContact CG1-CD1 3.81Å; V220-I342 HydrophobicContact CB-CD1 4.34Å; V220-I342 HydrophobicContact CG1-CD1 4.06Å; V220-I342 HydrophobicContact CG2-CD1 4.48Å; V220-M344 HydrophobicContact CG2-SD 4.37Å
221	E	79.7	Confident	82.1	Confident	37 Å²	37	59.7 Å²	59.7	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-68.1	-46.7	-174.1	-169.1	177.4	171.8	0	0	111.2	K217 L224 R225 T262	K217-E221 WeakPolarHBondContact O-CA 3.5Å; K217-E221 WeakPolarHBondContact O-CB 3.45Å; K217-E221 PolarHBondContact O-N 3.29Å; E221-L224 PolarHBondContact O-N 3.03Å; E221-R225 HydrophobicContact CG-CG 3.71Å; E221-R225 WeakPolarHBondContact O-CB 3.16Å; E221-R225 WeakPolarHBondContact O-CG 3.32Å; E221-R225 PolarHBondContact O-N 3.09Å; E221-T262 HydrophobicContact CB-CG2 4.33Å; E221-T262 HydrophobicContact CG-CG2 4.26Å
222	L	77.6	Confident	81.8	Confident	67 Å²	67	57.3 Å²	57.3	35%	0.351	31%	0.309	S	S	.	.	H	α-helix	trans	-57.2	-50.7	-178.4	-79.1	168.7	0	0	0	112.4	E218 H226 F230	E218-L222 HydrophobicContact CG-CD1 3.9Å; L222-H226 WeakPolarHBondContact O-CA 3.27Å; L222-H226 PolarHBondContact O-N 2.85Å; L222-F230 HydrophobicContact CB-CE2 3.97Å; L222-F230 HydrophobicContact CB-CZ 4.17Å
223	P	80.9	Confident	81.5	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-37.1	177.9	-23.4	33.1	0	0	0	114.8	M219 V220 F230 P237 I342	M219-P223 WeakPolarHBondContact O-CD 3.4Å; M219-P223 WeakPolarHBondContact O-CG 3.26Å; V220-P223 WeakPolarHBondContact O-CD 3.49Å; P223-F230 HydrophobicContact CB-CD2 4.46Å; P223-F230 HydrophobicContact CB-CE2 4.15Å; P223-F230 HydrophobicContact CB-CZ 4.45Å; P223-F230 HydrophobicContact CG-CE1 4.41Å; P223-F230 HydrophobicContact CG-CE2 3.88Å; P223-F230 HydrophobicContact CG-CZ 3.76Å; P223-P237 HydrophobicContact CB-CB 3.76Å; P223-P237 HydrophobicContact CG-CB 3.69Å; P223-I342 HydrophobicContact CB-CD1 4.28Å; P223-I342 HydrophobicContact CG-CD1 4.44Å
224	L	82.8	Confident	81	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.073	35%	0.352	C	S	.	.	H	α-helix	trans	-76.8	-37.1	-176.9	-67.1	172.7	0	0	0	111.8	V220 E221 T262 A264 P298 I300 I342	V220-L224 HydrophobicContact CG1-CD1 3.5Å; V220-L224 VanDerWaalsContact CG1-CD1 3.5Å; V220-L224 HydrophobicContact CG1-CG 4.46Å; V220-L224 WeakPolarHBondContact O-CB 3.42Å; V220-L224 WeakPolarHBondContact O-CD1 3.13Å; V220-L224 VanDerWaalsContact O-CG 3.27Å; V220-L224 WeakPolarHBondContact O-CG 3.47Å; V220-L224 PolarHBondContact O-N 3.25Å; E221-L224 PolarHBondContact O-N 3.03Å; L224-T262 HydrophobicContact CD1-CG2 4.4Å; L224-A264 HydrophobicContact CD1-CB 4Å; L224-P298 HydrophobicContact CD2-CB 3.77Å; L224-I300 HydrophobicContact CD1-CD1 4.01Å; L224-I300 HydrophobicContact CD1-CG1 4.02Å; L224-I342 HydrophobicContact CD1-CD1 4.32Å; L224-I342 HydrophobicContact CD2-CD1 4.33Å; L224-I342 HydrophobicContact CG-CD1 4.03Å
225	R	77.6	Confident	80.7	Confident	55 Å²	55	63.9 Å²	63.9	21%	0.208	35%	0.354	C	S	.	.	H	α-helix	trans	-90.4	-33.1	-174.2	-60	-78	-74.4	147.1	9.3	112.8	L96 D98 E221 P227	L96-R225 PolarHBondContact O-NH2 3.29Å; D98-R225 IonicContact OD1-CZ 3.24Å; D98-R225 IonicContact OD1-NH1 2.87Å; D98-R225 IonicContact OD1-NH2 2.75Å; D98-R225 PolarHBondContact OD1-NH2 3.39Å; D98-R225 IonicContact OD2-NH1 3.59Å; D98-R225 IonicContact OD2-NH2 3.32Å; D98-R225 PolarHBondContact OD2-NH2 3.31Å; E221-R225 HydrophobicContact CG-CG 3.71Å; E221-R225 WeakPolarHBondContact O-CB 3.16Å; E221-R225 WeakPolarHBondContact O-CG 3.32Å; E221-R225 PolarHBondContact O-N 3.09Å; R225-P227 WeakPolarHBondContact O-CD 3.42Å
226	H	76.9	Confident	80.2	Confident	91 Å²	91	66.2 Å²	66.2	42%	0.421	36%	0.363	S	S	.	.			trans	-122.8	59.4	179.4	-55.1	-67.6	0	0	0	113.7	L222 A228 L229	L222-H226 WeakPolarHBondContact O-CA 3.27Å; L222-H226 PolarHBondContact O-N 2.85Å; H226-A228 PolarHBondContact O-N 3.39Å; H226-A228 VanDerWaalsContact O-N 3.1Å; H226-L229 HydrophobicContact CB-CB 4.04Å; H226-L229 VanDerWaalsContact O-CB 3.28Å; H226-L229 WeakPolarHBondContact O-CB 3.27Å; H226-L229 PolarHBondContact O-N 2.88Å
227	P	75.8	Confident	79.9	Confident	45 Å²	45	68.2 Å²	68.2	29%	0.292	38%	0.376	S	S	.	.	H	α-helix	trans	-57.7	-32	-179.2	-23.3	31.3	0	0	0	114.8	R225 L229 F230 K231 H340	R225-P227 WeakPolarHBondContact O-CD 3.42Å; P227-L229 VanDerWaalsContact C-N 3.27Å; P227-L229 PolarHBondContact O-N 3.38Å; P227-F230 PolarHBondContact O-N 3.37Å; P227-K231 PolarHBondContact O-N 2.67Å; P227-H340 VanDerWaalsContact CB-CE1 3.43Å; P227-H340 WeakPolarHBondContact CB-CE1 3.44Å
228	A	75.2	Confident	79.8	Confident	77 Å²	77	67.5 Å²	67.5	64%	0.636	38%	0.375	S	S	*	.	H	α-helix	trans	-64.4	-31.4	178.6	0	0	0	0	0	112.8	H226 K231 A232	H226-A228 PolarHBondContact O-N 3.39Å; H226-A228 VanDerWaalsContact O-N 3.1Å; A228-K231 PolarHBondContact O-N 2.81Å; A228-A232 WeakPolarHBondContact O-CB 3.43Å; A228-A232 PolarHBondContact O-N 2.9Å
229	L	79	Confident	79.8	Confident	78 Å²	78	64 Å²	64	41%	0.408	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-50.4	178.9	-178.2	65.1	0	0	0	110.7	H226 P227 K231 A232 I233	H226-L229 HydrophobicContact CB-CB 4.04Å; H226-L229 VanDerWaalsContact O-CB 3.28Å; H226-L229 WeakPolarHBondContact O-CB 3.27Å; H226-L229 PolarHBondContact O-N 2.88Å; P227-L229 VanDerWaalsContact C-N 3.27Å; P227-L229 PolarHBondContact O-N 3.38Å; L229-K231 VanDerWaalsContact C-N 3.3Å; L229-K231 PolarHBondContact O-N 3.12Å; L229-A232 PolarHBondContact O-N 3.09Å; L229-A232 VanDerWaalsContact O-N 3.17Å; L229-I233 HydrophobicContact CD1-CD1 3.58Å; L229-I233 HydrophobicContact CD1-CG1 4.21Å; L229-I233 HydrophobicContact CG-CD1 3.78Å; L229-I233 WeakPolarHBondContact O-CB 3.48Å; L229-I233 WeakPolarHBondContact O-CG1 3.34Å; L229-I233 PolarHBondContact O-N 3.21Å
230	F	75.1	Confident	80.1	Confident	43 Å²	43	62.9 Å²	62.9	19%	0.189	35%	0.35	C	S	.	.	H	α-helix	trans	-64	-36.6	178.4	-74.9	-91.7	0	0	0	112.2	L222 P223 P227 A232 G234 P237	L222-F230 HydrophobicContact CB-CE2 3.97Å; L222-F230 HydrophobicContact CB-CZ 4.17Å; P223-F230 HydrophobicContact CB-CD2 4.46Å; P223-F230 HydrophobicContact CB-CE2 4.15Å; P223-F230 HydrophobicContact CB-CZ 4.45Å; P223-F230 HydrophobicContact CG-CE1 4.41Å; P223-F230 HydrophobicContact CG-CE2 3.88Å; P223-F230 HydrophobicContact CG-CZ 3.76Å; P227-F230 PolarHBondContact O-N 3.37Å; F230-A232 VanDerWaalsContact C-N 3.34Å; F230-A232 PolarHBondContact O-N 3.32Å; F230-G234 PolarHBondContact O-N 2.92Å; F230-P237 HydrophobicContact CD1-CB 3.95Å; F230-P237 HydrophobicContact CD1-CG 4.45Å; F230-P237 HydrophobicContact CE1-CB 3.99Å; F230-P237 HydrophobicContact CG-CB 4.47Å
231	K	75.3	Confident	80.5	Confident	185 Å²	185	62.9 Å²	62.9	80%	0.804	35%	0.35	S	S	*	.	H	α-helix	trans	-63.9	-38.9	174.8	-172.4	-179.5	177.8	-175.4	0	112.3	P227 A228 L229	P227-K231 PolarHBondContact O-N 2.67Å; A228-K231 PolarHBondContact O-N 2.81Å; L229-K231 VanDerWaalsContact C-N 3.3Å; L229-K231 PolarHBondContact O-N 3.12Å
232	A	78.7	Confident	81.3	Confident	87 Å²	87	61.1 Å²	61.1	72%	0.719	34%	0.342	S	S	*	.	H	α-helix	trans	-75.9	-41.3	-179.9	0	0	0	0	0	112.6	A228 L229 F230 G234	A228-A232 WeakPolarHBondContact O-CB 3.43Å; A228-A232 PolarHBondContact O-N 2.9Å; L229-A232 PolarHBondContact O-N 3.09Å; L229-A232 VanDerWaalsContact O-N 3.17Å; F230-A232 VanDerWaalsContact C-N 3.34Å; F230-A232 PolarHBondContact O-N 3.32Å; A232-G234 VanDerWaalsContact C-N 3.33Å
233	I	81.9	Confident	82.2	Confident	110 Å²	110	57.9 Å²	57.9	56%	0.564	33%	0.325	S	S	*	.	H	α-helix	trans	-73.9	-26.1	-179.5	-66.8	177.8	0	0	0	111.6	L229 V235	L229-I233 HydrophobicContact CD1-CD1 3.58Å; L229-I233 HydrophobicContact CD1-CG1 4.21Å; L229-I233 HydrophobicContact CG-CD1 3.78Å; L229-I233 WeakPolarHBondContact O-CB 3.48Å; L229-I233 WeakPolarHBondContact O-CG1 3.34Å; L229-I233 PolarHBondContact O-N 3.21Å; I233-V235 HydrophobicContact CG2-CB 3.95Å; I233-V235 HydrophobicContact CG2-CG2 3.57Å; I233-V235 PolarHBondContact O-N 2.99Å
234	G	78.7	Confident	82.8	Confident	63 Å²	63	58.5 Å²	58.5	65%	0.649	33%	0.327	S	S	*	.			trans	75.2	10.4	-178.1	0	0	0	0	0	113.9	F230 A232	F230-G234 PolarHBondContact O-N 2.92Å; A232-G234 VanDerWaalsContact C-N 3.33Å
235	V	81	Confident	83.1	Confident	87 Å²	87	58.2 Å²	58.2	53%	0.527	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-85.4	137	173	169.3	0	0	0	0	109.3	I233	I233-V235 HydrophobicContact CG2-CB 3.95Å; I233-V235 HydrophobicContact CG2-CG2 3.57Å; I233-V235 PolarHBondContact O-N 2.99Å
236	K	78.2	Confident	83.5	Confident	151 Å²	151	55.9 Å²	55.9	66%	0.657	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-80.1	126.3	178	-58.1	-178.8	-178.6	-175.1	0	108.8	Q337	K236-Q337 VanDerWaalsContact CG-NE2 3.31Å
237	P	81.9	Confident	84	Confident	41 Å²	41	55.2 Å²	55.2	27%	0.266	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-65.9	155.7	172.2	29.3	-34.4	0	0	0	110.4	P223 F230	P223-P237 HydrophobicContact CB-CB 3.76Å; P223-P237 HydrophobicContact CG-CB 3.69Å; F230-P237 HydrophobicContact CD1-CB 3.95Å; F230-P237 HydrophobicContact CD1-CG 4.45Å; F230-P237 HydrophobicContact CE1-CB 3.99Å; F230-P237 HydrophobicContact CG-CB 4.47Å
238	P	83.3	Confident	84.6	Confident	22 Å²	22	54.5 Å²	54.5	14%	0.143	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-60.7	139.6	172.4	28.2	-33.9	0	0	0	109.6	M219 R365	M219-P238 HydrophobicContact CB-CG 4.1Å; M219-P238 WeakPolarHBondContact O-CG 3.23Å; P238-R365 HydrophobicContact CB-CG 3.92Å
239	R	84.4	Confident	85.4	Confident	58 Å²	58	51.5 Å²	51.5	22%	0.219	30%	0.297	C	S	.	.			trans	-96.8	-37.7	-178.1	-69.4	-178.6	173.2	-160.1	-7.4	112.4	D333 L335 V343 G361	R239-D333 PolarHBondContact NH1-O 3.18Å; R239-L335 PolarHBondContact NH1-O 2.82Å; R239-L335 PolarHBondContact NH2-O 2.72Å; R239-V343 PolarHBondContact O-N 3.05Å; R239-G361 WeakPolarHBondContact CD-O 3.33Å
240	G	91.8	Very high	86	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.8	-174.1	0	0	0	0	0	111.6	V343 R362 D364 R365	G240-V343 CarbonylContact C-O 3.57Å; G240-V343 WeakPolarHBondContact CA-O 3.26Å; G240-R362 WeakPolarHBondContact CA-O 3.43Å; G240-R362 PolarHBondContact N-O 2.84Å; G240-D364 PolarHBondContact O-N 3.5Å; G240-R365 PolarHBondContact O-N 2.9Å
241	I	95.3	Very high	87	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.7	173	-55.2	173.8	0	0	0	108.3	M219 V220 L243 I342 V343 M344 A345 R365 V367	M219-I241 HydrophobicContact CB-CD1 3.86Å; M219-I241 HydrophobicContact CE-CD1 4.43Å; M219-I241 HydrophobicContact CE-CG2 4.44Å; V220-I241 HydrophobicContact CG2-CD1 3.24Å; I241-L243 HydrophobicContact CG2-CD2 4.01Å; I241-I342 HydrophobicContact CD1-CG2 4.39Å; I241-V343 PolarHBondContact N-O 2.91Å; I241-M344 HydrophobicContact CB-CG 4.3Å; I241-M344 CarbonylContact O-C 3.47Å; I241-M344 WeakPolarHBondContact O-CA 3.48Å; I241-A345 PolarHBondContact O-N 3.08Å; I241-R365 WeakPolarHBondContact CA-O 3.42Å; I241-R365 HydrophobicContact CG1-CB 4.23Å; I241-V367 HydrophobicContact CG2-CG2 4.02Å
242	L	96.1	Very high	87.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	110.7	175.1	-177.2	65.1	0	0	0	109.7	L306 A345 T347 R358 F363 R365 E366 V367	L242-L306 HydrophobicContact CD1-CD2 3.73Å; L242-A345 HydrophobicContact CD1-CB 4.03Å; L242-T347 HydrophobicContact CD1-CG2 4.04Å; L242-T347 HydrophobicContact CG-CG2 4.48Å; L242-R358 HydrophobicContact CD2-CG 4.37Å; L242-F363 HydrophobicContact CB-CB 4.1Å; L242-F363 HydrophobicContact CB-CD1 4.26Å; L242-F363 HydrophobicContact CB-CG 4.27Å; L242-R365 PolarHBondContact N-O 3.15Å; L242-E366 HydrophobicContact CB-CG 4.33Å; L242-E366 HydrophobicContact CD2-CG 4.45Å; L242-E366 CarbonylContact O-C 3.49Å; L242-E366 VanDerWaalsContact O-CA 3.31Å; L242-E366 WeakPolarHBondContact O-CA 3.41Å; L242-V367 PolarHBondContact O-N 3.05Å
243	L	96.4	Very high	88.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.9	168.5	-51.6	-174.9	0	0	0	108.6	I216 I241 K251 F302 M344 A345 A346 T347 V367 I369	I216-L243 HydrophobicContact CD1-CD2 3.77Å; I216-L243 HydrophobicContact CG1-CD2 4.41Å; I241-L243 HydrophobicContact CG2-CD2 4.01Å; L243-K251 HydrophobicContact CB-CB 4.38Å; L243-K251 HydrophobicContact CB-CD 4.32Å; L243-K251 HydrophobicContact CB-CG 4.3Å; L243-K251 HydrophobicContact CD1-CB 4.42Å; L243-F302 HydrophobicContact CD1-CE2 4.34Å; L243-M344 HydrophobicContact CD1-CE 3.94Å; L243-M344 HydrophobicContact CD2-CE 4.37Å; L243-M344 HydrophobicContact CG-CE 4.34Å; L243-A345 PolarHBondContact N-O 3.36Å; L243-A346 CarbonylContact O-C 3.28Å; L243-A346 VanDerWaalsContact O-CA 3.28Å; L243-A346 WeakPolarHBondContact O-CA 3.49Å; L243-T347 PolarHBondContact O-N 2.83Å; L243-V367 WeakPolarHBondContact CA-O 3.01Å; L243-V367 HydrophobicContact CD2-CB 3.9Å; L243-V367 HydrophobicContact CD2-CG2 4.32Å; L243-I369 HydrophobicContact CB-CG1 4.38Å
244	Y	92.6	Very high	89.1	Confident	22 Å²	22	34.6 Å²	34.6	9%	0.086	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	163.1	173.6	68.5	-83.8	0	0	0	111.4	T347 P350 E366 V367 D368 I369 Q568	Y244-T347 VanDerWaalsContact CA-O 3.24Å; Y244-T347 WeakPolarHBondContact CA-O 3.47Å; Y244-P350 HydrophobicContact CD2-CB 4.16Å; Y244-P350 HydrophobicContact CD2-CG 3.73Å; Y244-P350 HydrophobicContact CE2-CG 4.23Å; Y244-P350 HydrophobicContact CG-CB 4.08Å; Y244-P350 HydrophobicContact CG-CG 4.14Å; Y244-E366 HydrophobicContact CD1-CB 4.46Å; Y244-E366 HydrophobicContact CE1-CB 3.95Å; Y244-V367 WeakPolarHBondContact CD1-O 3.44Å; Y244-V367 PolarHBondContact N-O 2.95Å; Y244-D368 HydrophobicContact CE1-CB 4.15Å; Y244-D368 HydrophobicContact CE2-CB 3.8Å; Y244-I369 PolarHBondContact O-N 3.12Å; Y244-Q568 PolarHBondContact OH-NE2 3.37Å; Y244-Q568 PolarHBondContact OH-OE1 2.89Å
245	G	89.2	Confident	89.8	Confident	8 Å²	8	31.6 Å²	31.6	8%	0.082	18%	0.183	C	C	.	.			trans	143.6	179.6	-177.5	0	0	0	0	0	110.7	K251 T347 N348	G245-K251 PolarHBondContact O-NZ 3Å; G245-T347 PolarHBondContact N-O 3.49Å; G245-N348 WeakPolarHBondContact O-CA 3.49Å; G245-N348 PolarHBondContact O-OD1 2.83Å
246	P	86.3	Confident	90.4	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.039	17%	0.174	C	C	.	.	S	Bend	trans	-63	156.8	-171.8	-22.7	36.1	0	0	0	112.6	T249 K251 I369 I371 E466	P246-T249 HydrophobicContact CB-CG2 4.03Å; P246-T249 HydrophobicContact CG-CG2 4.19Å; P246-T249 PolarHBondContact O-OG1 2.94Å; P246-T249 VanDerWaalsContact O-OG1 3.1Å; P246-K251 PolarHBondContact O-NZ 2.84Å; P246-I369 WeakPolarHBondContact CD-O 3.49Å; P246-I371 HydrophobicContact CG-CG1 4.1Å; P246-E466 WeakPolarHBondContact CB-OE1 3.48Å; P246-E466 WeakPolarHBondContact CG-OE1 3.32Å; P246-E466 WeakPolarHBondContact CG-OE2 3.44Å
247	P	88	Confident	91.1	Very high	76 Å²	76	24.6 Å²	24.6	49%	0.494	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	142.4	171.5	27.3	-33.9	0	0	0	110
248	G	88.6	Confident	91.5	Very high	30 Å²	30	22.6 Å²	22.6	31%	0.309	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	4.5	177.3	0	0	0	0	0	116.5	G250 G408 A409	G248-G250 VanDerWaalsContact C-N 3.28Å; G248-G250 PolarHBondContact O-N 3.16Å; G248-G408 PolarHBondContact O-N 2.64Å; G248-A409 PolarHBondContact O-N 2.87Å
249	T	91.3	Very high	91.9	Very high	14 Å²	14	21.6 Å²	21.6	9%	0.086	12%	0.123	C	C	.	.	S	Bend	trans	-81.4	1.8	174	61	0	0	0	0	115	P246 I369 V407	P246-T249 HydrophobicContact CB-CG2 4.03Å; P246-T249 HydrophobicContact CG-CG2 4.19Å; P246-T249 PolarHBondContact O-OG1 2.94Å; P246-T249 VanDerWaalsContact O-OG1 3.1Å; T249-I369 WeakPolarHBondContact CB-O 3.5Å; T249-I369 WeakPolarHBondContact O-CG2 3.29Å; T249-I369 PolarHBondContact OG1-O 3.04Å; T249-V407 HydrophobicContact CG2-CB 4.19Å; T249-V407 HydrophobicContact CG2-CG1 3.89Å
250	G	92.8	Very high	92.2	Very high	24 Å²	24	20.6 Å²	20.6	25%	0.247	12%	0.122	C	C	.	.			trans	89.5	20.2	173	0	0	0	0	0	115.9	G248 T252 L253 I254	G248-G250 VanDerWaalsContact C-N 3.28Å; G248-G250 PolarHBondContact O-N 3.16Å; G250-T252 VanDerWaalsContact C-N 3.33Å; G250-T252 PolarHBondContact O-N 3.17Å; G250-L253 WeakPolarHBondContact O-CA 3.28Å; G250-L253 WeakPolarHBondContact O-CB 3.29Å; G250-L253 PolarHBondContact O-N 3.22Å; G250-I254 WeakPolarHBondContact O-CG1 3.39Å; G250-I254 PolarHBondContact O-N 3.44Å
251	K	94.4	Very high	91.9	Very high	12 Å²	12	20.9 Å²	20.9	5%	0.052	12%	0.124	C	C	.	.	H	α-helix	trans	-50.5	-48	177.4	-63.5	-177.5	-69.8	-78.6	0	113.4	L243 G245 P246 I254 A255 A346 N348 I369	L243-K251 HydrophobicContact CB-CB 4.38Å; L243-K251 HydrophobicContact CB-CD 4.32Å; L243-K251 HydrophobicContact CB-CG 4.3Å; L243-K251 HydrophobicContact CD1-CB 4.42Å; G245-K251 PolarHBondContact O-NZ 3Å; P246-K251 PolarHBondContact O-NZ 2.84Å; K251-I254 PolarHBondContact O-N 2.69Å; K251-A255 PolarHBondContact O-N 2.74Å; K251-A346 HydrophobicContact CB-CB 3.85Å; K251-A346 HydrophobicContact CD-CB 4.09Å; K251-N348 WeakPolarHBondContact CE-OD1 3.31Å; K251-N348 PolarHBondContact NZ-OD1 2.65Å; K251-I369 HydrophobicContact CG-CB 4.1Å; K251-I369 HydrophobicContact CG-CG1 4.11Å; K251-I369 HydrophobicContact CG-CG2 4.43Å
252	T	92.8	Very high	91.5	Very high	44 Å²	44	21.5 Å²	21.5	27%	0.27	13%	0.127	S	C	.	.	H	α-helix	trans	-68.2	-35.6	178	-45.1	0	0	0	0	112.2	G250 R256 F302 D304	G250-T252 VanDerWaalsContact C-N 3.33Å; G250-T252 PolarHBondContact O-N 3.17Å; T252-R256 PolarHBondContact O-N 3.04Å; T252-F302 HydrophobicContact CG2-CE1 3.81Å; T252-D304 WeakPolarHBondContact CG2-OD2 3.42Å; T252-D304 PolarHBondContact OG1-OD2 2.67Å
253	L	94.1	Very high	91	Very high	67 Å²	67	23.7 Å²	23.7	35%	0.351	15%	0.15	S	C	.	.	H	α-helix	trans	-63.8	-46.2	176.4	-170.2	75.2	0	0	0	110.9	V201 I206 G250 A255 R256 A257	V201-L253 HydrophobicContact CB-CD1 4.34Å; V201-L253 HydrophobicContact CG1-CD1 3.47Å; V201-L253 VanDerWaalsContact CG1-CD1 3.47Å; V201-L253 HydrophobicContact CG1-CG 3.87Å; V201-L253 HydrophobicContact CG2-CD1 3.89Å; I206-L253 HydrophobicContact CG1-CD2 4.13Å; I206-L253 HydrophobicContact CG1-CG 4.35Å; G250-L253 WeakPolarHBondContact O-CA 3.28Å; G250-L253 WeakPolarHBondContact O-CB 3.29Å; G250-L253 PolarHBondContact O-N 3.22Å; L253-A255 PolarHBondContact O-N 2.63Å; L253-R256 PolarHBondContact O-N 3Å; L253-A257 WeakPolarHBondContact O-CB 3.49Å; L253-A257 PolarHBondContact O-N 2.88Å
254	I	94.8	Very high	90.7	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-48.6	178.1	-65.8	162.4	0	0	0	111.1	I206 V209 L213 I216 G250 K251 R256 A257 V258 I369	I206-I254 HydrophobicContact CD1-CB 4.36Å; I206-I254 HydrophobicContact CD1-CG1 4.01Å; I206-I254 HydrophobicContact CG2-CG1 4.19Å; V209-I254 HydrophobicContact CG2-CD1 4.18Å; L213-I254 HydrophobicContact CD1-CG2 4.2Å; I216-I254 HydrophobicContact CD1-CG2 3.65Å; G250-I254 WeakPolarHBondContact O-CG1 3.39Å; G250-I254 PolarHBondContact O-N 3.44Å; K251-I254 PolarHBondContact O-N 2.69Å; I254-R256 VanDerWaalsContact C-N 3.31Å; I254-R256 PolarHBondContact O-N 2.91Å; I254-A257 PolarHBondContact O-N 3.25Å; I254-V258 HydrophobicContact CG2-CG2 4.33Å; I254-V258 WeakPolarHBondContact O-CG2 3.48Å; I254-V258 PolarHBondContact O-N 3.35Å; I254-I369 HydrophobicContact CD1-CD1 3.85Å; I254-I369 HydrophobicContact CD1-CG1 4.13Å; I254-I369 HydrophobicContact CD1-CG2 3.87Å
255	A	93.4	Very high	90.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-39.8	-178.9	0	0	0	0	0	112.5	K251 L253 A259 F266 F302 M344	K251-A255 PolarHBondContact O-N 2.74Å; L253-A255 PolarHBondContact O-N 2.63Å; A255-A259 PolarHBondContact O-N 3.37Å; A255-F266 HydrophobicContact CB-CE2 4.2Å; A255-F266 HydrophobicContact CB-CZ 4.42Å; A255-F302 HydrophobicContact CB-CB 4.48Å; A255-F302 HydrophobicContact CB-CD1 4.29Å; A255-F302 HydrophobicContact CB-CD2 3.2Å; A255-F302 HydrophobicContact CB-CE1 4.35Å; A255-F302 HydrophobicContact CB-CE2 3.28Å; A255-F302 HydrophobicContact CB-CG 3.73Å; A255-F302 HydrophobicContact CB-CZ 3.87Å; A255-M344 HydrophobicContact CB-CE 4.08Å; A255-M344 HydrophobicContact CB-SD 4.39Å
256	R	93.1	Very high	90.9	Very high	90 Å²	90	27.8 Å²	27.8	34%	0.34	17%	0.168	S	C	.	.	H	α-helix	trans	-65.7	-45.7	176.3	-168.8	-179.8	-60.8	-81.3	1.3	111.8	V201 T252 L253 I254 V258 A259 N260 F266	V201-R256 HydrophobicContact CB-CG 4.45Å; T252-R256 PolarHBondContact O-N 3.04Å; L253-R256 PolarHBondContact O-N 3Å; I254-R256 VanDerWaalsContact C-N 3.31Å; I254-R256 PolarHBondContact O-N 2.91Å; R256-V258 VanDerWaalsContact C-N 3.33Å; R256-V258 PolarHBondContact O-N 3.41Å; R256-A259 PolarHBondContact O-N 3.02Å; R256-N260 PolarHBondContact O-N 2.92Å; R256-F266 HydrophobicContact CB-CZ 4.46Å
257	A	92	Very high	91.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.2	-45.3	176.8	0	0	0	0	0	112	V201 G202 Y203 I206 L253 I254 A259 N260 E261	V201-A257 HydrophobicContact CG1-CB 3.96Å; G202-A257 WeakPolarHBondContact O-CB 3.47Å; Y203-A257 HydrophobicContact CD1-CB 4.12Å; Y203-A257 HydrophobicContact CE1-CB 4.37Å; I206-A257 HydrophobicContact CD1-CB 3.42Å; I206-A257 VanDerWaalsContact CD1-CB 3.42Å; I206-A257 HydrophobicContact CG1-CB 4.43Å; L253-A257 WeakPolarHBondContact O-CB 3.49Å; L253-A257 PolarHBondContact O-N 2.88Å; I254-A257 PolarHBondContact O-N 3.25Å; A257-A259 VanDerWaalsContact C-N 3.3Å; A257-A259 PolarHBondContact O-N 3.48Å; A257-N260 PolarHBondContact O-N 3.34Å; A257-E261 VanDerWaalsContact O-CB 3.26Å; A257-E261 WeakPolarHBondContact O-CB 3.5Å; A257-E261 VanDerWaalsContact O-CG 3.27Å; A257-E261 WeakPolarHBondContact O-CG 3.38Å; A257-E261 PolarHBondContact O-N 3.49Å
258	V	92.1	Very high	91.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-40.4	178.7	174.4	0	0	0	0	111.4	Y203 I216 V220 I254 R256 T262 I300	Y203-V258 HydrophobicContact CE1-CB 4.38Å; Y203-V258 HydrophobicContact CE1-CG2 3.74Å; I216-V258 HydrophobicContact CG2-CG1 4.4Å; I216-V258 HydrophobicContact CG2-CG2 3.67Å; V220-V258 HydrophobicContact CB-CG1 3.99Å; V220-V258 HydrophobicContact CG1-CG1 3.48Å; V220-V258 VanDerWaalsContact CG1-CG1 3.48Å; V220-V258 HydrophobicContact CG2-CG1 4.44Å; I254-V258 HydrophobicContact CG2-CG2 4.33Å; I254-V258 WeakPolarHBondContact O-CG2 3.48Å; I254-V258 PolarHBondContact O-N 3.35Å; R256-V258 VanDerWaalsContact C-N 3.33Å; R256-V258 PolarHBondContact O-N 3.41Å; V258-T262 HydrophobicContact CG1-CG2 4.43Å; V258-T262 WeakPolarHBondContact O-CB 3.41Å; V258-T262 VanDerWaalsContact O-CG2 3.26Å; V258-T262 WeakPolarHBondContact O-CG2 3.48Å; V258-T262 PolarHBondContact O-N 3.17Å; V258-T262 PolarHBondContact O-OG1 3.34Å; V258-I300 HydrophobicContact CG1-CD1 4.01Å
259	A	91.2	Very high	91.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.6	-47.3	178.6	0	0	0	0	0	112.2	A255 R256 A257 E261 T262 G263 A264 F266 I300	A255-A259 PolarHBondContact O-N 3.37Å; R256-A259 PolarHBondContact O-N 3.02Å; A257-A259 VanDerWaalsContact C-N 3.3Å; A257-A259 PolarHBondContact O-N 3.48Å; A259-E261 PolarHBondContact O-N 3.42Å; A259-T262 PolarHBondContact O-N 3.3Å; A259-T262 PolarHBondContact O-OG1 3.03Å; A259-G263 WeakPolarHBondContact O-CA 3.37Å; A259-G263 PolarHBondContact O-N 3.29Å; A259-A264 PolarHBondContact O-N 3.4Å; A259-A264 VanDerWaalsContact O-N 3.09Å; A259-F266 HydrophobicContact CB-CB 3.75Å; A259-F266 HydrophobicContact CB-CD2 3.41Å; A259-F266 VanDerWaalsContact CB-CD2 3.41Å; A259-F266 HydrophobicContact CB-CE2 4.26Å; A259-F266 HydrophobicContact CB-CG 3.88Å; A259-I300 HydrophobicContact CB-CD1 4.02Å
260	N	89.3	Confident	91.9	Very high	37 Å²	37	29.8 Å²	29.8	20%	0.198	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-43.4	178.6	-67.1	-8.9	0	0	0	111.5	V201 R256 A257 G263	V201-N260 WeakPolarHBondContact O-CB 3.43Å; V201-N260 PolarHBondContact O-ND2 3.34Å; R256-N260 PolarHBondContact O-N 2.92Å; A257-N260 PolarHBondContact O-N 3.34Å; N260-G263 PolarHBondContact O-N 3Å
261	E	86.7	Confident	91.6	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.033	15%	0.153	C	C	.	.	H	α-helix	trans	-70.3	-33.8	-179.3	-74.8	-72.2	-174	0	0	113.3	R89 R95 Y203 A257 A259	R89-E261 IonicContact CZ-OE1 2.69Å; R89-E261 IonicContact CZ-OE2 3.78Å; R89-E261 IonicContact NH1-OE1 3.7Å; R89-E261 IonicContact NH1-OE2 4Å; R89-E261 PolarHBondContact NH1-OE2 2.91Å; R89-E261 IonicContact NH2-OE1 3.62Å; R89-E261 PolarHBondContact NH2-OE1 2.82Å; R89-E261 IonicContact NH2-OE2 2.78Å; R89-E261 PolarHBondContact NH2-OE2 2.88Å; R95-E261 VanDerWaalsContact CD-O 3.29Å; R95-E261 WeakPolarHBondContact CD-O 3.3Å; R95-E261 WeakPolarHBondContact CG-O 3.45Å; Y203-E261 HydrophobicContact CD1-CG 4.21Å; Y203-E261 HydrophobicContact CD2-CB 4.03Å; Y203-E261 HydrophobicContact CD2-CG 3.6Å; Y203-E261 HydrophobicContact CE1-CB 4.33Å; Y203-E261 HydrophobicContact CE1-CG 4.25Å; Y203-E261 HydrophobicContact CE2-CB 3.5Å; Y203-E261 HydrophobicContact CE2-CG 3.64Å; Y203-E261 HydrophobicContact CG-CG 3.9Å; A257-E261 VanDerWaalsContact O-CB 3.26Å; A257-E261 WeakPolarHBondContact O-CB 3.5Å; A257-E261 VanDerWaalsContact O-CG 3.27Å; A257-E261 WeakPolarHBondContact O-CG 3.38Å; A257-E261 PolarHBondContact O-N 3.49Å; A259-E261 PolarHBondContact O-N 3.42Å
262	T	86.8	Confident	91.1	Very high	12 Å²	12	31.2 Å²	31.2	7%	0.074	17%	0.17	C	C	.	.	H	α-helix	trans	-81.1	-18.2	174.3	56.3	0	0	0	0	112.8	E221 L224 V258 A259 A264	E221-T262 HydrophobicContact CB-CG2 4.33Å; E221-T262 HydrophobicContact CG-CG2 4.26Å; L224-T262 HydrophobicContact CD1-CG2 4.4Å; V258-T262 HydrophobicContact CG1-CG2 4.43Å; V258-T262 WeakPolarHBondContact O-CB 3.41Å; V258-T262 VanDerWaalsContact O-CG2 3.26Å; V258-T262 WeakPolarHBondContact O-CG2 3.48Å; V258-T262 PolarHBondContact O-N 3.17Å; V258-T262 PolarHBondContact O-OG1 3.34Å; A259-T262 PolarHBondContact O-N 3.3Å; A259-T262 PolarHBondContact O-OG1 3.03Å; T262-A264 VanDerWaalsContact C-N 3.26Å; T262-A264 WeakPolarHBondContact OG1-CB 3.32Å
263	G	86.2	Confident	90.7	Very high	47 Å²	47	35.8 Å²	35.8	49%	0.485	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	24	-171	0	0	0	0	0	113	A259 N260	A259-G263 WeakPolarHBondContact O-CA 3.37Å; A259-G263 PolarHBondContact O-N 3.29Å; N260-G263 PolarHBondContact O-N 3Å
264	A	89.6	Confident	90.1	Very high	11 Å²	11	33.3 Å²	33.3	9%	0.091	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-83.8	146.5	178.3	0	0	0	0	0	110.8	L224 A259 T262 F266 P298 I300	L224-A264 HydrophobicContact CD1-CB 4Å; A259-A264 PolarHBondContact O-N 3.4Å; A259-A264 VanDerWaalsContact O-N 3.09Å; T262-A264 VanDerWaalsContact C-N 3.26Å; T262-A264 WeakPolarHBondContact OG1-CB 3.32Å; A264-F266 PolarHBondContact O-N 2.93Å; A264-P298 WeakPolarHBondContact CA-O 3.29Å; A264-I300 HydrophobicContact CB-CD1 4.41Å; A264-I300 HydrophobicContact CB-CG1 4.19Å
265	F	92.6	Very high	89	Confident	67 Å²	67	36.2 Å²	36.2	29%	0.294	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	125	174.5	176.6	-105.1	0	0	0	110.5	F267 E292 N296 P298 A299 I300	F265-F267 HydrophobicContact CE1-CB 4Å; F265-F267 AromaticContact CE1-CD2 3.86Å; F265-F267 HydrophobicContact CE1-CD2 3.86Å; F265-F267 HydrophobicContact CE1-CG 4.43Å; F265-F267 HydrophobicContact CZ-CD2 4.07Å; F265-E292 HydrophobicContact CE1-CG 4.45Å; F265-E292 HydrophobicContact CZ-CG 4.46Å; F265-N296 HydrophobicContact CB-CB 3.87Å; F265-N296 HydrophobicContact CD1-CB 3.56Å; F265-N296 HydrophobicContact CD2-CB 4.01Å; F265-N296 HydrophobicContact CE1-CB 4.03Å; F265-N296 HydrophobicContact CE2-CB 4.44Å; F265-N296 HydrophobicContact CG-CB 3.53Å; F265-N296 HydrophobicContact CZ-CB 4.45Å; F265-N296 WeakPolarHBondContact CZ-ND2 3.43Å; F265-P298 PolarHBondContact N-O 3.27Å; F265-A299 HydrophobicContact CB-CB 3.99Å; F265-A299 HydrophobicContact CD1-CB 4.09Å; F265-A299 CarbonylContact O-C 3.57Å; F265-A299 VanDerWaalsContact O-CA 3.22Å; F265-A299 WeakPolarHBondContact O-CA 3.32Å; F265-A299 WeakPolarHBondContact O-CB 3.49Å; F265-I300 PolarHBondContact O-N 2.91Å
266	F	94	Very high	87.8	Confident	38 Å²	38	38 Å²	38	17%	0.167	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118	-177.8	-171	-107.3	0	0	0	111.3	A255 R256 A259 A264 L268 I300 F302	A255-F266 HydrophobicContact CB-CE2 4.2Å; A255-F266 HydrophobicContact CB-CZ 4.42Å; R256-F266 HydrophobicContact CB-CZ 4.46Å; A259-F266 HydrophobicContact CB-CB 3.75Å; A259-F266 HydrophobicContact CB-CD2 3.41Å; A259-F266 VanDerWaalsContact CB-CD2 3.41Å; A259-F266 HydrophobicContact CB-CE2 4.26Å; A259-F266 HydrophobicContact CB-CG 3.88Å; A264-F266 PolarHBondContact O-N 2.93Å; F266-L268 HydrophobicContact CE1-CB 4.1Å; F266-I300 HydrophobicContact CD2-CB 4.29Å; F266-I300 HydrophobicContact CD2-CG2 4.26Å; F266-I300 HydrophobicContact CE2-CG2 4.35Å; F266-F302 HydrophobicContact CE1-CB 4.48Å; F266-F302 HydrophobicContact CE2-CB 3.51Å; F266-F302 HydrophobicContact CE2-CG 4.18Å; F266-F302 HydrophobicContact CZ-CB 3.49Å; F266-F302 VanDerWaalsContact CZ-CB 3.49Å; F266-F302 HydrophobicContact CZ-CD1 4.07Å; F266-F302 AromaticContact CZ-CG 3.93Å; F266-F302 HydrophobicContact CZ-CG 3.93Å
267	F	94.9	Very high	86.2	Confident	46 Å²	46	44.3 Å²	44.3	20%	0.202	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.4	175.6	-161.8	-78.9	0	0	0	110.5	F265 I269 A289 E292 I300 F302	F265-F267 HydrophobicContact CE1-CB 4Å; F265-F267 AromaticContact CE1-CD2 3.86Å; F265-F267 HydrophobicContact CE1-CD2 3.86Å; F265-F267 HydrophobicContact CE1-CG 4.43Å; F265-F267 HydrophobicContact CZ-CD2 4.07Å; F267-I269 HydrophobicContact CD1-CG1 3.92Å; F267-I269 HydrophobicContact CE1-CG1 4.05Å; F267-A289 HydrophobicContact CD1-CB 3.76Å; F267-A289 HydrophobicContact CE1-CB 3.27Å; F267-A289 HydrophobicContact CZ-CB 3.86Å; F267-E292 HydrophobicContact CD2-CG 4.43Å; F267-E292 HydrophobicContact CE2-CB 4.37Å; F267-E292 HydrophobicContact CE2-CG 4.26Å; F267-E292 WeakPolarHBondContact CE2-OE2 3.19Å; F267-I300 PolarHBondContact N-O 3.2Å; F267-F302 PolarHBondContact O-N 3.31Å
268	L	94.2	Very high	85.1	Confident	75 Å²	75	49.9 Å²	49.9	39%	0.393	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.5	-179.5	178.2	62.9	0	0	0	111	F266 F302 D304	F266-L268 HydrophobicContact CE1-CB 4.1Å; L268-F302 HydrophobicContact CD1-CD1 3.58Å; L268-F302 HydrophobicContact CD1-CE1 4.29Å; L268-D304 HydrophobicContact CD1-CB 4.45Å
269	I	93.8	Very high	83.9	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.1	171.2	-57.6	-178.5	0	0	0	107.4	F267 I274 L286 A289 I301 F302 I303 D304 I309	F267-I269 HydrophobicContact CD1-CG1 3.92Å; F267-I269 HydrophobicContact CE1-CG1 4.05Å; I269-I274 HydrophobicContact CG2-CD1 3.92Å; I269-I274 HydrophobicContact CG2-CG1 3.42Å; I269-I274 VanDerWaalsContact CG2-CG1 3.42Å; I269-L286 HydrophobicContact CD1-CD2 4.21Å; I269-L286 HydrophobicContact CG2-CD2 4.24Å; I269-A289 HydrophobicContact CD1-CB 3.65Å; I269-A289 HydrophobicContact CG1-CB 4.16Å; I269-I301 HydrophobicContact CD1-CG2 3.61Å; I269-I301 HydrophobicContact CG1-CG2 4.21Å; I269-F302 PolarHBondContact N-O 3.24Å; I269-I303 HydrophobicContact CB-CG1 4.24Å; I269-I303 HydrophobicContact CD1-CG1 4.22Å; I269-I303 HydrophobicContact CG2-CG2 4.5Å; I269-I303 CarbonylContact O-C 3.52Å; I269-I303 WeakPolarHBondContact O-CA 3.47Å; I269-D304 PolarHBondContact O-N 2.78Å; I269-I309 HydrophobicContact CG2-CD1 4.19Å
270	N	91.6	Very high	83.4	Confident	42 Å²	42	55.2 Å²	55.2	23%	0.225	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.6	176.9	-167.1	-5.4	0	0	0	110.1	P272 E273 I274	N270-P272 WeakPolarHBondContact OD1-CD 3.47Å; N270-E273 HydrophobicContact CB-CB 4.03Å; N270-E273 VanDerWaalsContact CB-CD 3.42Å; N270-E273 HydrophobicContact CB-CG 3.79Å; N270-E273 PolarHBondContact ND2-OE1 2.68Å; N270-E273 PolarHBondContact O-N 3.22Å; N270-E273 VanDerWaalsContact O-N 3.08Å; N270-I274 PolarHBondContact O-N 3.42Å
271	G	86.3	Confident	83.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-50.5	-58.6	-174.4	0	0	0	0	0	114.3	E273 I274 M275 D304	G271-E273 VanDerWaalsContact C-N 3.28Å; G271-E273 PolarHBondContact O-N 2.92Å; G271-I274 PolarHBondContact O-N 3.32Å; G271-M275 WeakPolarHBondContact O-CG 3.43Å; G271-M275 PolarHBondContact O-N 3.27Å; G271-D304 WeakPolarHBondContact CA-O 3.38Å; G271-D304 PolarHBondContact N-O 2.8Å
272	P	84.8	Confident	83.2	Confident	65 Å²	65	57.2 Å²	57.2	42%	0.422	32%	0.317	S	S	.	.	H	α-helix	trans	-55.3	-35	174.6	-29.3	34.7	0	0	0	115.2	N270 M275 E305	N270-P272 WeakPolarHBondContact OD1-CD 3.47Å; P272-M275 PolarHBondContact O-N 2.61Å; P272-E305 WeakPolarHBondContact CD-OE2 3.46Å; P272-E305 WeakPolarHBondContact CG-OE2 3.42Å
273	E	83.1	Confident	83.3	Confident	140 Å²	140	57.9 Å²	57.9	65%	0.654	32%	0.319	S	S	*	.	H	α-helix	trans	-70.7	-32.8	-178.8	-68.1	174.2	-161	0	0	112.4	N270 G271 M275	N270-E273 HydrophobicContact CB-CB 4.03Å; N270-E273 VanDerWaalsContact CB-CD 3.42Å; N270-E273 HydrophobicContact CB-CG 3.79Å; N270-E273 PolarHBondContact ND2-OE1 2.68Å; N270-E273 PolarHBondContact O-N 3.22Å; N270-E273 VanDerWaalsContact O-N 3.08Å; G271-E273 VanDerWaalsContact C-N 3.28Å; G271-E273 PolarHBondContact O-N 2.92Å; E273-M275 VanDerWaalsContact C-N 3.27Å; E273-M275 PolarHBondContact O-N 3.29Å
274	I	81.7	Confident	83.5	Confident	16 Å²	16	57.6 Å²	57.6	8%	0.082	31%	0.31	C	S	.	.	H	α-helix	trans	-70.5	-27.7	174.5	-66.4	-62.3	0	0	0	111.3	I269 N270 G271 S276 S282 N285 L286 I309	I269-I274 HydrophobicContact CG2-CD1 3.92Å; I269-I274 HydrophobicContact CG2-CG1 3.42Å; I269-I274 VanDerWaalsContact CG2-CG1 3.42Å; N270-I274 PolarHBondContact O-N 3.42Å; G271-I274 PolarHBondContact O-N 3.32Å; I274-S276 PolarHBondContact O-N 3.44Å; I274-S282 WeakPolarHBondContact O-CB 3.44Å; I274-S282 PolarHBondContact O-OG 3.01Å; I274-N285 HydrophobicContact CD1-CB 3.88Å; I274-L286 HydrophobicContact CD1-CD2 4.46Å; I274-L286 HydrophobicContact CG1-CD2 4.45Å; I274-L286 HydrophobicContact CG2-CD1 4.32Å; I274-L286 HydrophobicContact CG2-CD2 4.36Å; I274-L286 HydrophobicContact CG2-CG 4.08Å; I274-I309 HydrophobicContact CB-CD1 4.25Å; I274-I309 HydrophobicContact CG1-CD1 4.29Å; I274-I309 HydrophobicContact CG2-CD1 4.43Å
275	M	72.2	Confident	83.5	Confident	63 Å²	63	59.6 Å²	59.6	31%	0.31	32%	0.319	S	S	.	.			trans	-78.6	64.9	-178	-65.7	-63.3	-75.3	0	0	112.1	G271 P272 E273 E321 I324	G271-M275 WeakPolarHBondContact O-CG 3.43Å; G271-M275 PolarHBondContact O-N 3.27Å; P272-M275 PolarHBondContact O-N 2.61Å; E273-M275 VanDerWaalsContact C-N 3.27Å; E273-M275 PolarHBondContact O-N 3.29Å; M275-E321 HydrophobicContact CE-CG 3.78Å; M275-I324 HydrophobicContact SD-CD1 3.76Å
276	S	67.2	Low	83.5	Confident	38 Å²	38	56.4 Å²	56.4	27%	0.266	31%	0.305	S	S	.	.			trans	-77	156.5	175.8	79.2	0	0	0	0	112.8	I274 L278 S282	I274-S276 PolarHBondContact O-N 3.44Å; S276-L278 VanDerWaalsContact C-N 3.27Å; S276-L278 PolarHBondContact O-N 2.81Å; S276-L278 PolarHBondContact OG-O 3.42Å; S276-S282 PolarHBondContact OG-OG 2.86Å
277	K	59.4	Low	83.4	Confident	221 Å²	221	58.4 Å²	58.4	96%	0.961	31%	0.312	S	S	*	.	S	Bend	trans	-73.4	-14.5	175.3	-68.8	-177.1	179.6	177	0	113.7
278	L	69.1	Low	83.2	Confident	117 Å²	117	61.9 Å²	61.9	61%	0.613	33%	0.327	S	S	*	.	S	Bend	trans	-92.7	116.9	-174.5	-67.6	170.8	0	0	0	110.3	S276 G280 E281	S276-L278 VanDerWaalsContact C-N 3.27Å; S276-L278 PolarHBondContact O-N 2.81Å; S276-L278 PolarHBondContact OG-O 3.42Å; L278-G280 PolarHBondContact O-N 2.65Å; L278-E281 HydrophobicContact CB-CB 4.26Å; L278-E281 WeakPolarHBondContact CD1-OE2 3.28Å; L278-E281 PolarHBondContact O-N 2.96Å
279	A	67.8	Low	83.1	Confident	83 Å²	83	58.4 Å²	58.4	69%	0.686	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	125.1	-178.5	0	0	0	0	0	111.6
280	G	80	Confident	83.1	Confident	30 Å²	30	58.8 Å²	58.8	31%	0.309	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-17.4	176.7	0	0	0	0	0	115.4	L278 S284	L278-G280 PolarHBondContact O-N 2.65Å; G280-S284 PolarHBondContact O-N 3.46Å; G280-S284 VanDerWaalsContact O-N 3.15Å
281	E	85.4	Confident	83.2	Confident	83 Å²	83	61.7 Å²	61.7	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-67	-45	175.5	-174.9	172.5	-158.8	0	0	111.1	L278 E283 S284 N285	L278-E281 HydrophobicContact CB-CB 4.26Å; L278-E281 WeakPolarHBondContact CD1-OE2 3.28Å; L278-E281 PolarHBondContact O-N 2.96Å; E281-E283 VanDerWaalsContact C-N 3.31Å; E281-E283 PolarHBondContact O-N 2.91Å; E281-S284 WeakPolarHBondContact O-CB 3.49Å; E281-S284 PolarHBondContact O-N 3.24Å; E281-S284 VanDerWaalsContact O-N 3.07Å; E281-N285 PolarHBondContact O-N 2.9Å
282	S	87.1	Confident	83.5	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-54.1	-43.7	175.7	-54.9	0	0	0	0	113.2	I274 S276 L286	I274-S282 WeakPolarHBondContact O-CB 3.44Å; I274-S282 PolarHBondContact O-OG 3.01Å; S276-S282 PolarHBondContact OG-OG 2.86Å; S282-L286 WeakPolarHBondContact O-CG 3.44Å; S282-L286 PolarHBondContact O-N 3.4Å; S282-L286 VanDerWaalsContact O-N 3.1Å
283	E	89.2	Confident	83.9	Confident	25 Å²	25	62.6 Å²	62.6	12%	0.117	32%	0.321	C	S	.	.	H	α-helix	trans	-69.8	-37.6	177.4	-66.4	172.7	-150.9	0	0	112.7	E281 L286 R287 R323 Q327	E281-E283 VanDerWaalsContact C-N 3.31Å; E281-E283 PolarHBondContact O-N 2.91Å; E283-L286 PolarHBondContact O-N 3.41Å; E283-R287 PolarHBondContact O-N 2.84Å; E283-R287 IonicContact OE2-NH1 3.67Å; E283-R287 IonicContact OE2-NH2 3.48Å; E283-R323 WeakPolarHBondContact OE1-CD 3.42Å; E283-R323 WeakPolarHBondContact OE1-CG 3.34Å; E283-Q327 HydrophobicContact CB-CG 4.14Å; E283-Q327 HydrophobicContact CG-CB 4.19Å; E283-Q327 HydrophobicContact CG-CG 4.18Å
284	S	90.1	Very high	84.2	Confident	41 Å²	41	59.9 Å²	59.9	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-44	176.9	-169.2	0	0	0	0	110.6	G280 E281 R287 K288	G280-S284 PolarHBondContact O-N 3.46Å; G280-S284 VanDerWaalsContact O-N 3.15Å; E281-S284 WeakPolarHBondContact O-CB 3.49Å; E281-S284 PolarHBondContact O-N 3.24Å; E281-S284 VanDerWaalsContact O-N 3.07Å; S284-R287 PolarHBondContact O-N 3.18Å; S284-K288 WeakPolarHBondContact O-CG 3.26Å; S284-K288 PolarHBondContact O-N 3.43Å
285	N	89.9	Confident	84.7	Confident	53 Å²	53	66.6 Å²	66.6	28%	0.283	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-42.8	177.7	-67.9	-10.1	0	0	0	111.3	I274 E281 R287 K288 A289	I274-N285 HydrophobicContact CD1-CB 3.88Å; E281-N285 PolarHBondContact O-N 2.9Å; N285-R287 PolarHBondContact O-N 2.92Å; N285-K288 PolarHBondContact O-N 2.95Å; N285-A289 WeakPolarHBondContact O-CB 3.44Å; N285-A289 PolarHBondContact O-N 2.95Å
286	L	91.4	Very high	85.7	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-43.5	173.1	-74.6	176.1	0	0	0	112.5	I269 I274 S282 E283 A289 F290 I324 L331	I269-L286 HydrophobicContact CD1-CD2 4.21Å; I269-L286 HydrophobicContact CG2-CD2 4.24Å; I274-L286 HydrophobicContact CD1-CD2 4.46Å; I274-L286 HydrophobicContact CG1-CD2 4.45Å; I274-L286 HydrophobicContact CG2-CD1 4.32Å; I274-L286 HydrophobicContact CG2-CD2 4.36Å; I274-L286 HydrophobicContact CG2-CG 4.08Å; S282-L286 WeakPolarHBondContact O-CG 3.44Å; S282-L286 PolarHBondContact O-N 3.4Å; S282-L286 VanDerWaalsContact O-N 3.1Å; E283-L286 PolarHBondContact O-N 3.41Å; L286-A289 PolarHBondContact O-N 2.96Å; L286-F290 VanDerWaalsContact O-CD2 3.32Å; L286-F290 WeakPolarHBondContact O-CD2 3.5Å; L286-F290 PolarHBondContact O-N 3.42Å; L286-I324 HydrophobicContact CD1-CG2 3.9Å; L286-L331 HydrophobicContact CB-CD1 3.84Å
287	R	92.3	Very high	86.6	Confident	81 Å²	81	67.3 Å²	67.3	31%	0.306	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-47.9	176.1	-80.7	-174.6	-73	-93.3	-0.8	111.9	E283 S284 N285 A289 F290 E291 Q327 L331	E283-R287 PolarHBondContact O-N 2.84Å; E283-R287 IonicContact OE2-NH1 3.67Å; E283-R287 IonicContact OE2-NH2 3.48Å; S284-R287 PolarHBondContact O-N 3.18Å; N285-R287 PolarHBondContact O-N 2.92Å; R287-A289 VanDerWaalsContact C-N 3.33Å; R287-A289 PolarHBondContact O-N 3.5Å; R287-F290 PolarHBondContact O-N 3.4Å; R287-E291 WeakPolarHBondContact O-CG 3.27Å; R287-E291 PolarHBondContact O-N 3.02Å; R287-Q327 VanDerWaalsContact CG-NE2 3.33Å; R287-Q327 VanDerWaalsContact NH1-CD 3.26Å; R287-L331 HydrophobicContact CG-CD2 4.2Å
288	K	91.8	Very high	88.1	Confident	118 Å²	118	59.6 Å²	59.6	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-58.8	-44.3	178.9	-74	175.8	-177.3	177.1	0	111.8	S284 N285 F290 E291 E292	S284-K288 WeakPolarHBondContact O-CG 3.26Å; S284-K288 PolarHBondContact O-N 3.43Å; N285-K288 PolarHBondContact O-N 2.95Å; K288-F290 PolarHBondContact O-N 2.77Å; K288-E291 PolarHBondContact O-N 2.84Å; K288-E292 VanDerWaalsContact O-CB 3.29Å; K288-E292 WeakPolarHBondContact O-CB 3.04Å; K288-E292 PolarHBondContact O-N 3.16Å
289	A	92.3	Very high	89.2	Confident	3 Å²	3	54 Å²	54	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-58	-46.7	178.4	0	0	0	0	0	112.3	F267 I269 N285 L286 R287 E292 A293	F267-A289 HydrophobicContact CD1-CB 3.76Å; F267-A289 HydrophobicContact CE1-CB 3.27Å; F267-A289 HydrophobicContact CZ-CB 3.86Å; I269-A289 HydrophobicContact CD1-CB 3.65Å; I269-A289 HydrophobicContact CG1-CB 4.16Å; N285-A289 WeakPolarHBondContact O-CB 3.44Å; N285-A289 PolarHBondContact O-N 2.95Å; L286-A289 PolarHBondContact O-N 2.96Å; R287-A289 VanDerWaalsContact C-N 3.33Å; R287-A289 PolarHBondContact O-N 3.5Å; A289-E292 PolarHBondContact O-N 2.93Å; A289-A293 WeakPolarHBondContact O-CB 3.11Å; A289-A293 PolarHBondContact O-N 3.34Å
290	F	93.3	Very high	90.5	Very high	12 Å²	12	50 Å²	50	5%	0.053	26%	0.256	C	S	.	.	H	α-helix	trans	-67.4	-41	177.8	-85.5	-109.7	0	0	0	112.5	L286 R287 K288 E294 I301 L328 L331 M332 L335 V343	L286-F290 VanDerWaalsContact O-CD2 3.32Å; L286-F290 WeakPolarHBondContact O-CD2 3.5Å; L286-F290 PolarHBondContact O-N 3.42Å; R287-F290 PolarHBondContact O-N 3.4Å; K288-F290 PolarHBondContact O-N 2.77Å; F290-E294 PolarHBondContact O-N 2.89Å; F290-I301 HydrophobicContact CB-CD1 4.36Å; F290-I301 HydrophobicContact CD1-CD1 3.75Å; F290-I301 HydrophobicContact CD2-CD1 3.95Å; F290-I301 HydrophobicContact CE1-CD1 3.96Å; F290-I301 HydrophobicContact CE2-CD1 4.16Å; F290-I301 HydrophobicContact CE2-CG2 4.45Å; F290-I301 HydrophobicContact CG-CD1 3.76Å; F290-I301 HydrophobicContact CZ-CD1 4.16Å; F290-L328 HydrophobicContact CE2-CD1 4.2Å; F290-L328 HydrophobicContact CZ-CD1 4.13Å; F290-L331 HydrophobicContact CB-CD2 4.17Å; F290-L331 HydrophobicContact CD1-CB 3.92Å; F290-L331 HydrophobicContact CD2-CB 4.28Å; F290-L331 HydrophobicContact CD2-CD1 3.87Å; F290-L331 HydrophobicContact CE1-CB 3.86Å; F290-L331 HydrophobicContact CE2-CB 4.22Å; F290-L331 HydrophobicContact CE2-CD1 4.15Å; F290-L331 HydrophobicContact CG-CB 4.13Å; F290-L331 HydrophobicContact CG-CD1 4.23Å; F290-L331 HydrophobicContact CG-CD2 4.23Å; F290-L331 HydrophobicContact CG-CG 4.43Å; F290-L331 HydrophobicContact CZ-CB 4.01Å; F290-M332 HydrophobicContact CE1-SD 4.33Å; F290-M332 HydrophobicContact CZ-SD 4.15Å; F290-L335 HydrophobicContact CD1-CD2 3.87Å; F290-L335 HydrophobicContact CD1-CG 4.38Å; F290-L335 HydrophobicContact CE1-CD1 4.22Å; F290-L335 HydrophobicContact CE1-CD2 4.04Å; F290-L335 HydrophobicContact CE1-CG 4.17Å; F290-V343 HydrophobicContact CE1-CG2 4Å; F290-V343 HydrophobicContact CZ-CG2 4.14Å
291	E	92.6	Very high	91.2	Very high	103 Å²	103	48.6 Å²	48.6	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-38.1	176.9	-74.2	177.4	-164.8	0	0	112.6	R287 K288 K295	R287-E291 WeakPolarHBondContact O-CG 3.27Å; R287-E291 PolarHBondContact O-N 3.02Å; K288-E291 PolarHBondContact O-N 2.84Å; E291-K295 VanDerWaalsContact O-CG 3.29Å; E291-K295 WeakPolarHBondContact O-CG 3.41Å; E291-K295 PolarHBondContact O-N 3.08Å; E291-K295 VanDerWaalsContact O-N 3.16Å
292	E	93.2	Very high	91.8	Very high	85 Å²	85	44.7 Å²	44.7	40%	0.397	22%	0.222	S	C	.	.	H	α-helix	trans	-69.9	-42.9	178.3	-171.9	170	171.8	0	0	111.7	F265 F267 K288 A289 E294 K295 N296	F265-E292 HydrophobicContact CE1-CG 4.45Å; F265-E292 HydrophobicContact CZ-CG 4.46Å; F267-E292 HydrophobicContact CD2-CG 4.43Å; F267-E292 HydrophobicContact CE2-CB 4.37Å; F267-E292 HydrophobicContact CE2-CG 4.26Å; F267-E292 WeakPolarHBondContact CE2-OE2 3.19Å; K288-E292 VanDerWaalsContact O-CB 3.29Å; K288-E292 WeakPolarHBondContact O-CB 3.04Å; K288-E292 PolarHBondContact O-N 3.16Å; A289-E292 PolarHBondContact O-N 2.93Å; E292-E294 VanDerWaalsContact C-N 3.35Å; E292-E294 PolarHBondContact O-N 2.79Å; E292-K295 PolarHBondContact O-N 3.43Å; E292-N296 PolarHBondContact O-N 3Å; E292-N296 VanDerWaalsContact O-N 3.12Å; E292-N296 PolarHBondContact O-ND2 2.54Å; E292-N296 VanDerWaalsContact O-ND2 3.16Å
293	A	92.8	Very high	92.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-39.5	173.7	0	0	0	0	0	112.5	A289 K295 N296 A297 A299 I301 V341	A289-A293 WeakPolarHBondContact O-CB 3.11Å; A289-A293 PolarHBondContact O-N 3.34Å; A293-K295 VanDerWaalsContact C-N 3.31Å; A293-K295 PolarHBondContact O-N 2.95Å; A293-N296 CarbonylContact O-C 3.3Å; A293-N296 PolarHBondContact O-N 3.19Å; A293-A297 PolarHBondContact O-N 3.04Å; A293-A299 HydrophobicContact CB-CB 4.13Å; A293-A299 WeakPolarHBondContact O-CB 3.16Å; A293-I301 HydrophobicContact CB-CD1 3.67Å; A293-I301 HydrophobicContact CB-CG1 3.43Å; A293-I301 VanDerWaalsContact CB-CG1 3.43Å; A293-V341 HydrophobicContact CB-CG1 4.4Å
294	E	90.8	Very high	92.5	Very high	82 Å²	82	44.8 Å²	44.8	38%	0.383	22%	0.224	S	C	.	.	H	α-helix	trans	-65.2	-33.4	175.7	-175.5	171.9	-166.7	0	0	112.1	F290 E292 K336 A339	F290-E294 PolarHBondContact O-N 2.89Å; E292-E294 VanDerWaalsContact C-N 3.35Å; E292-E294 PolarHBondContact O-N 2.79Å; E294-K336 IonicContact OE1-NZ 2.66Å; E294-A339 HydrophobicContact CG-CB 3.85Å
295	K	91.9	Very high	92.6	Very high	158 Å²	158	46.6 Å²	46.6	69%	0.687	23%	0.228	S	C	*	.	H	α-helix	trans	-70.2	-33.9	176	-73.1	167.7	-169.3	167	0	113	E291 E292 A293	E291-K295 VanDerWaalsContact O-CG 3.29Å; E291-K295 WeakPolarHBondContact O-CG 3.41Å; E291-K295 PolarHBondContact O-N 3.08Å; E291-K295 VanDerWaalsContact O-N 3.16Å; E292-K295 PolarHBondContact O-N 3.43Å; A293-K295 VanDerWaalsContact C-N 3.31Å; A293-K295 PolarHBondContact O-N 2.95Å
296	N	91.6	Very high	92.8	Very high	74 Å²	74	44.1 Å²	44.1	40%	0.396	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	17.3	-176.8	-63.8	-45	0	0	0	113.1	F265 E292 A293	F265-N296 HydrophobicContact CB-CB 3.87Å; F265-N296 HydrophobicContact CD1-CB 3.56Å; F265-N296 HydrophobicContact CD2-CB 4.01Å; F265-N296 HydrophobicContact CE1-CB 4.03Å; F265-N296 HydrophobicContact CE2-CB 4.44Å; F265-N296 HydrophobicContact CG-CB 3.53Å; F265-N296 HydrophobicContact CZ-CB 4.45Å; F265-N296 WeakPolarHBondContact CZ-ND2 3.43Å; E292-N296 PolarHBondContact O-N 3Å; E292-N296 VanDerWaalsContact O-N 3.12Å; E292-N296 PolarHBondContact O-ND2 2.54Å; E292-N296 VanDerWaalsContact O-ND2 3.16Å; A293-N296 CarbonylContact O-C 3.3Å; A293-N296 PolarHBondContact O-N 3.19Å
297	A	87.6	Confident	92.7	Very high	41 Å²	41	45.7 Å²	45.7	34%	0.339	22%	0.223	S	C	.	.			trans	-59.2	141.6	-178.6	0	0	0	0	0	112.7	A293 A339 H340 V341	A293-A297 PolarHBondContact O-N 3.04Å; A297-A339 WeakPolarHBondContact CB-O 3.43Å; A297-H340 HydrophobicContact CB-CB 4.38Å; A297-V341 HydrophobicContact CB-CG2 4.37Å
298	P	90.4	Very high	92.5	Very high	59 Å²	59	43.5 Å²	43.5	38%	0.383	22%	0.222	S	C	.	.	S	Bend	cis	-71.5	133.5	6.7	28.2	-34.2	0	0	0	113.8	L224 A264 F265 H340	L224-P298 HydrophobicContact CD2-CB 3.77Å; A264-P298 WeakPolarHBondContact CA-O 3.29Å; F265-P298 PolarHBondContact N-O 3.27Å; P298-H340 WeakPolarHBondContact CA-O 3.3Å
299	A	92.1	Very high	92.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.9	-171.2	0	0	0	0	0	113.9	F265 A293 H340 V341 I342	F265-A299 HydrophobicContact CB-CB 3.99Å; F265-A299 HydrophobicContact CD1-CB 4.09Å; F265-A299 CarbonylContact O-C 3.57Å; F265-A299 VanDerWaalsContact O-CA 3.22Å; F265-A299 WeakPolarHBondContact O-CA 3.32Å; F265-A299 WeakPolarHBondContact O-CB 3.49Å; A293-A299 HydrophobicContact CB-CB 4.13Å; A293-A299 WeakPolarHBondContact O-CB 3.16Å; A299-H340 PolarHBondContact N-O 3.45Å; A299-V341 HydrophobicContact CB-CG2 4.22Å; A299-V341 WeakPolarHBondContact O-CA 3.43Å; A299-I342 PolarHBondContact O-N 2.91Å
300	I	94.3	Very high	92.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	118.4	171.7	-60.1	178.4	0	0	0	108.3	V220 L224 V258 A259 A264 F265 F266 F267 I342 M344	V220-I300 HydrophobicContact CG1-CD1 3.81Å; L224-I300 HydrophobicContact CD1-CD1 4.01Å; L224-I300 HydrophobicContact CD1-CG1 4.02Å; V258-I300 HydrophobicContact CG1-CD1 4.01Å; A259-I300 HydrophobicContact CB-CD1 4.02Å; A264-I300 HydrophobicContact CB-CD1 4.41Å; A264-I300 HydrophobicContact CB-CG1 4.19Å; F265-I300 PolarHBondContact O-N 2.91Å; F266-I300 HydrophobicContact CD2-CB 4.29Å; F266-I300 HydrophobicContact CD2-CG2 4.26Å; F266-I300 HydrophobicContact CE2-CG2 4.35Å; F267-I300 PolarHBondContact N-O 3.2Å; I300-I342 WeakPolarHBondContact CA-O 3.18Å; I300-M344 HydrophobicContact CG2-CB 4.3Å; I300-M344 HydrophobicContact CG2-CG 4.01Å; I300-M344 HydrophobicContact CG2-SD 3.88Å
301	I	95.9	Very high	92	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.4	167.2	-58.6	172.4	0	0	0	106.7	I269 F290 A293 I303 V341 I342 V343 M344	I269-I301 HydrophobicContact CD1-CG2 3.61Å; I269-I301 HydrophobicContact CG1-CG2 4.21Å; F290-I301 HydrophobicContact CB-CD1 4.36Å; F290-I301 HydrophobicContact CD1-CD1 3.75Å; F290-I301 HydrophobicContact CD2-CD1 3.95Å; F290-I301 HydrophobicContact CE1-CD1 3.96Å; F290-I301 HydrophobicContact CE2-CD1 4.16Å; F290-I301 HydrophobicContact CE2-CG2 4.45Å; F290-I301 HydrophobicContact CG-CD1 3.76Å; F290-I301 HydrophobicContact CZ-CD1 4.16Å; A293-I301 HydrophobicContact CB-CD1 3.67Å; A293-I301 HydrophobicContact CB-CG1 3.43Å; A293-I301 VanDerWaalsContact CB-CG1 3.43Å; I301-I303 HydrophobicContact CG2-CG1 4.38Å; I301-V341 HydrophobicContact CD1-CG1 3.79Å; I301-V341 HydrophobicContact CG1-CG1 3.95Å; I301-I342 PolarHBondContact N-O 2.89Å; I301-V343 HydrophobicContact CB-CG1 4.48Å; I301-V343 HydrophobicContact CB-CG2 4.32Å; I301-V343 HydrophobicContact CD1-CG2 4.32Å; I301-V343 CarbonylContact O-C 3.59Å; I301-V343 WeakPolarHBondContact O-CA 3.4Å; I301-M344 PolarHBondContact O-N 3.28Å
302	F	97.1	Very high	91.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.1	176.7	-175.8	-106.3	0	0	0	111.1	L243 T252 A255 F266 F267 L268 I269 D304 M344 A346	L243-F302 HydrophobicContact CD1-CE2 4.34Å; T252-F302 HydrophobicContact CG2-CE1 3.81Å; A255-F302 HydrophobicContact CB-CB 4.48Å; A255-F302 HydrophobicContact CB-CD1 4.29Å; A255-F302 HydrophobicContact CB-CD2 3.2Å; A255-F302 HydrophobicContact CB-CE1 4.35Å; A255-F302 HydrophobicContact CB-CE2 3.28Å; A255-F302 HydrophobicContact CB-CG 3.73Å; A255-F302 HydrophobicContact CB-CZ 3.87Å; F266-F302 HydrophobicContact CE1-CB 4.48Å; F266-F302 HydrophobicContact CE2-CB 3.51Å; F266-F302 HydrophobicContact CE2-CG 4.18Å; F266-F302 HydrophobicContact CZ-CB 3.49Å; F266-F302 VanDerWaalsContact CZ-CB 3.49Å; F266-F302 HydrophobicContact CZ-CD1 4.07Å; F266-F302 AromaticContact CZ-CG 3.93Å; F266-F302 HydrophobicContact CZ-CG 3.93Å; F267-F302 PolarHBondContact O-N 3.31Å; L268-F302 HydrophobicContact CD1-CD1 3.58Å; L268-F302 HydrophobicContact CD1-CE1 4.29Å; I269-F302 PolarHBondContact N-O 3.24Å; F302-D304 HydrophobicContact CD1-CB 4.34Å; F302-D304 HydrophobicContact CE1-CB 3.78Å; F302-M344 CarbonylContact C-O 3.57Å; F302-M344 VanDerWaalsContact CA-O 3.27Å; F302-M344 WeakPolarHBondContact CA-O 3.44Å; F302-M344 HydrophobicContact CD2-CB 3.66Å; F302-M344 HydrophobicContact CE2-CB 4.34Å; F302-A346 HydrophobicContact CE2-CB 4.11Å; F302-A346 HydrophobicContact CZ-CB 3.6Å
303	I	96.4	Very high	90.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	104.6	176.8	-53.5	174.7	0	0	0	108.9	I269 I301 L306 I309 L328 V343 M344 A345 A346	I269-I303 HydrophobicContact CB-CG1 4.24Å; I269-I303 HydrophobicContact CD1-CG1 4.22Å; I269-I303 HydrophobicContact CG2-CG2 4.5Å; I269-I303 CarbonylContact O-C 3.52Å; I269-I303 WeakPolarHBondContact O-CA 3.47Å; I301-I303 HydrophobicContact CG2-CG1 4.38Å; I303-L306 HydrophobicContact CD1-CD1 4.46Å; I303-L306 HydrophobicContact CG2-CB 4.39Å; I303-L306 HydrophobicContact CG2-CD1 3.85Å; I303-I309 HydrophobicContact CG2-CD1 3.73Å; I303-L328 HydrophobicContact CD1-CD1 3.83Å; I303-L328 HydrophobicContact CD1-CD2 4.38Å; I303-V343 HydrophobicContact CD1-CG1 4.01Å; I303-V343 HydrophobicContact CG1-CG1 4.41Å; I303-M344 PolarHBondContact N-O 3.48Å; I303-A345 HydrophobicContact CB-CB 4.08Å; I303-A345 CarbonylContact O-C 3.53Å; I303-A345 WeakPolarHBondContact O-CA 3.32Å; I303-A346 PolarHBondContact O-N 2.83Å
304	D	94.8	Very high	90	Very high	31 Å²	31	47.1 Å²	47.1	17%	0.166	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	150.1	173.9	-148.4	-10.7	0	0	0	111	T252 L268 I269 G271 F302 L306	T252-D304 WeakPolarHBondContact CG2-OD2 3.42Å; T252-D304 PolarHBondContact OG1-OD2 2.67Å; L268-D304 HydrophobicContact CD1-CB 4.45Å; I269-D304 PolarHBondContact O-N 2.78Å; G271-D304 WeakPolarHBondContact CA-O 3.38Å; G271-D304 PolarHBondContact N-O 2.8Å; F302-D304 HydrophobicContact CD1-CB 4.34Å; F302-D304 HydrophobicContact CE1-CB 3.78Å; D304-L306 VanDerWaalsContact C-N 3.34Å; D304-L306 PolarHBondContact O-N 2.64Å
305	E	91.4	Very high	89.1	Confident	79 Å²	79	50.4 Å²	50.4	37%	0.369	25%	0.249	S	C	.	.	S	Bend	trans	47	53	-175.5	-59.8	-168.1	165.4	0	0	113.2	P272 D307 A308 A346	P272-E305 WeakPolarHBondContact CD-OE2 3.46Å; P272-E305 WeakPolarHBondContact CG-OE2 3.42Å; E305-D307 PolarHBondContact O-N 2.69Å; E305-A308 HydrophobicContact CB-CB 4.45Å; E305-A308 VanDerWaalsContact O-CB 3.31Å; E305-A308 WeakPolarHBondContact O-CB 3.48Å; E305-A308 PolarHBondContact O-N 3.37Å; E305-A346 PolarHBondContact N-O 3.31Å
306	L	94.3	Very high	88.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.5	-29.5	-177.9	179.6	66.2	0	0	0	112.7	L242 I303 D304 A308 I309 A310 L328 A345 A346 I353 L357 F363	L242-L306 HydrophobicContact CD1-CD2 3.73Å; I303-L306 HydrophobicContact CD1-CD1 4.46Å; I303-L306 HydrophobicContact CG2-CB 4.39Å; I303-L306 HydrophobicContact CG2-CD1 3.85Å; D304-L306 VanDerWaalsContact C-N 3.34Å; D304-L306 PolarHBondContact O-N 2.64Å; L306-A308 PolarHBondContact O-N 2.92Å; L306-I309 PolarHBondContact O-N 3.34Å; L306-I309 VanDerWaalsContact O-N 3.12Å; L306-A310 HydrophobicContact CD1-CB 4.38Å; L306-A310 PolarHBondContact O-N 2.82Å; L306-L328 HydrophobicContact CD1-CD2 3.81Å; L306-A345 HydrophobicContact CB-CB 4.21Å; L306-A345 HydrophobicContact CD2-CB 3.8Å; L306-A345 HydrophobicContact CG-CB 4.39Å; L306-A346 PolarHBondContact N-O 3.35Å; L306-I353 HydrophobicContact CB-CD1 4.13Å; L306-I353 HydrophobicContact CD2-CD1 4.09Å; L306-I353 HydrophobicContact CD2-CG2 4.24Å; L306-I353 HydrophobicContact CG-CD1 3.93Å; L306-L357 HydrophobicContact CD1-CD1 4.37Å; L306-L357 HydrophobicContact CD2-CD1 4.36Å; L306-F363 HydrophobicContact CD1-CE2 4.44Å; L306-F363 HydrophobicContact CD2-CD2 4.21Å; L306-F363 HydrophobicContact CD2-CE2 3.7Å; L306-F363 HydrophobicContact CD2-CZ 4.24Å
307	D	89.9	Confident	87.1	Confident	34 Å²	34	48.5 Å²	48.5	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-20.2	177	48.5	-55.8	0	0	0	114.4	E305 T347 S352 I353	E305-D307 PolarHBondContact O-N 2.69Å; D307-T347 VanDerWaalsContact CG-OG1 3.23Å; D307-T347 PolarHBondContact OD1-OG1 3.32Å; D307-S352 WeakPolarHBondContact CB-OG 3.48Å; D307-I353 VanDerWaalsContact CA-CD1 3.44Å; D307-I353 HydrophobicContact CB-CD1 3.61Å
308	A	88.4	Confident	86.6	Confident	34 Å²	34	47.8 Å²	47.8	28%	0.281	24%	0.237	S	C	.	.	H	α-helix	trans	-73.6	-36.1	170.7	0	0	0	0	0	112.1	E305 L306	E305-A308 HydrophobicContact CB-CB 4.45Å; E305-A308 VanDerWaalsContact O-CB 3.31Å; E305-A308 WeakPolarHBondContact O-CB 3.48Å; E305-A308 PolarHBondContact O-N 3.37Å; L306-A308 PolarHBondContact O-N 2.92Å
309	I	88.3	Confident	86.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-83.8	-41.9	-178.9	-55.8	-174.5	0	0	0	111.2	I269 I274 I303 L306 P311 I324 L328	I269-I309 HydrophobicContact CG2-CD1 4.19Å; I274-I309 HydrophobicContact CB-CD1 4.25Å; I274-I309 HydrophobicContact CG1-CD1 4.29Å; I274-I309 HydrophobicContact CG2-CD1 4.43Å; I303-I309 HydrophobicContact CG2-CD1 3.73Å; L306-I309 PolarHBondContact O-N 3.34Å; L306-I309 VanDerWaalsContact O-N 3.12Å; I309-P311 VanDerWaalsContact C-CD 3.44Å; I309-I324 HydrophobicContact CG2-CG2 3.53Å; I309-L328 HydrophobicContact CG2-CD2 4.32Å
310	A	90.3	Very high	85.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-130.7	60.6	-168.4	0	0	0	0	0	114.6	L306 V325 L328 I353 D354 L357	L306-A310 HydrophobicContact CD1-CB 4.38Å; L306-A310 PolarHBondContact O-N 2.82Å; A310-V325 HydrophobicContact CB-CG1 4.24Å; A310-V325 HydrophobicContact CB-CG2 4.13Å; A310-L328 HydrophobicContact CB-CD2 4.44Å; A310-I353 WeakPolarHBondContact O-CA 3.29Å; A310-D354 PolarHBondContact O-N 2.9Å; A310-L357 HydrophobicContact CB-CD1 3.25Å
311	P	88.6	Confident	84.9	Confident	27 Å²	27	58 Å²	58	18%	0.175	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-69.8	163.3	172.8	31.3	-35.3	0	0	0	111.9	I309 R313 S352	I309-P311 VanDerWaalsContact C-CD 3.44Å; P311-R313 PolarHBondContact O-N 3.05Å; P311-S352 CarbonylContact C-O 3.51Å; P311-S352 VanDerWaalsContact CA-O 3.27Å; P311-S352 WeakPolarHBondContact CA-O 3.27Å
312	K	85.1	Confident	84.4	Confident	69 Å²	69	64.2 Å²	64.2	30%	0.3	31%	0.307	S	S	.	.			trans	-53	130.2	171	-83.7	178.3	172.8	165.9	0	110.9	E314 K315 T316 N351 S352	K312-E314 PolarHBondContact O-N 3.29Å; K312-K315 PolarHBondContact O-N 2.94Å; K312-T316 PolarHBondContact O-N 2.83Å; K312-T316 PolarHBondContact O-OG1 3.4Å; K312-N351 WeakPolarHBondContact CD-O 3.4Å; K312-N351 WeakPolarHBondContact CE-O 3.44Å; K312-N351 PolarHBondContact NZ-O 3.33Å; K312-S352 PolarHBondContact N-O 3.12Å
313	R	76.9	Confident	84	Confident	126 Å²	126	70 Å²	70	48%	0.475	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-29.6	-177.8	-61.7	-178.1	-178.6	-154.9	-7.6	115.1	P311 T316 R322 D354	P311-R313 PolarHBondContact O-N 3.05Å; R313-T316 WeakPolarHBondContact CA-OG1 3.26Å; R313-T316 PolarHBondContact O-N 2.98Å; R313-R322 PolarHBondContact O-NH2 3.38Å; R313-D354 WeakPolarHBondContact CG-OD2 3.37Å; R313-D354 IonicContact CZ-OD2 3.53Å; R313-D354 IonicContact NE-OD2 3.54Å; R313-D354 PolarHBondContact NE-OD2 3.44Å; R313-D354 IonicContact NH2-OD2 2.82Å
314	E	75.3	Confident	83.6	Confident	176 Å²	176	70.1 Å²	70.1	82%	0.822	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-31.9	177.6	-66.3	172.4	-177.1	0	0	112.5	K312	K312-E314 PolarHBondContact O-N 3.29Å
315	K	69.9	Low	83.4	Confident	151 Å²	151	68.8 Å²	68.8	66%	0.657	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-11.2	177.1	-64.1	-170.9	175.5	-172.3	0	112.8	K312 H317	K312-K315 PolarHBondContact O-N 2.94Å; K315-H317 PolarHBondContact O-CD2 3.38Å; K315-H317 PolarHBondContact O-N 3.14Å
316	T	72.6	Confident	83.4	Confident	4 Å²	4	67.5 Å²	67.5	3%	0.025	32%	0.322	C	S	.	.			trans	-80.7	110.4	-179.3	-44.1	0	0	0	0	110.6	K312 R313 E321 R322	K312-T316 PolarHBondContact O-N 2.83Å; K312-T316 PolarHBondContact O-OG1 3.4Å; R313-T316 WeakPolarHBondContact CA-OG1 3.26Å; R313-T316 PolarHBondContact O-N 2.98Å; T316-E321 HydrophobicContact CG2-CB 3.28Å; T316-E321 HydrophobicContact CG2-CG 4.24Å; T316-E321 WeakPolarHBondContact CG2-OE2 3.26Å; T316-R322 HydrophobicContact CG2-CG 3.8Å
317	H	70.3	Confident	83.3	Confident	187 Å²	187	69 Å²	69	87%	0.866	33%	0.329	S	S	*	.			trans	-92.7	0.9	-176.3	-73.3	-67.9	0	0	0	114.4	K315	K315-H317 PolarHBondContact O-CD2 3.38Å; K315-H317 PolarHBondContact O-N 3.14Å
318	G	76	Confident	83.5	Confident	26 Å²	26	67.3 Å²	67.3	27%	0.268	32%	0.321	S	S	.	.			trans	-124.9	146.7	179.6	0	0	0	0	0	115.4	V320 R322	G318-V320 VanDerWaalsContact C-N 3.34Å; G318-R322 PolarHBondContact O-N 3.01Å
319	E	80.7	Confident	83.7	Confident	140 Å²	140	66.3 Å²	66.3	65%	0.654	31%	0.31	S	S	*	.	H	α-helix	trans	-66.2	-36.2	172.8	-165	-165.2	141.1	0	0	112	R322 R323	E319-R322 PolarHBondContact O-N 3.31Å; E319-R323 PolarHBondContact O-N 3.01Å; E319-R323 IonicContact OE1-CZ 3.44Å; E319-R323 IonicContact OE1-NH2 2.69Å; E319-R323 PolarHBondContact OE1-NH2 3.24Å
320	V	81.6	Confident	84	Confident	68 Å²	68	70.4 Å²	70.4	41%	0.412	34%	0.336	S	S	.	.	H	α-helix	trans	-60.3	-47.5	179	179	0	0	0	0	110.8	G318 R322 R323 I324	G318-V320 VanDerWaalsContact C-N 3.34Å; V320-R322 PolarHBondContact O-N 2.92Å; V320-R323 WeakPolarHBondContact O-CB 3.37Å; V320-R323 PolarHBondContact O-N 3.25Å; V320-R323 VanDerWaalsContact O-N 3.11Å; V320-I324 HydrophobicContact CG1-CD1 4.17Å; V320-I324 WeakPolarHBondContact O-CG1 3.24Å; V320-I324 PolarHBondContact O-N 3.04Å
321	E	80.2	Confident	84.1	Confident	65 Å²	65	71.7 Å²	71.7	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-59.5	-46.2	177.6	-65.4	175.6	168.3	0	0	111.5	M275 T316 R323 I324 V325	M275-E321 HydrophobicContact CE-CG 3.78Å; T316-E321 HydrophobicContact CG2-CB 3.28Å; T316-E321 HydrophobicContact CG2-CG 4.24Å; T316-E321 WeakPolarHBondContact CG2-OE2 3.26Å; E321-R323 PolarHBondContact O-N 3.41Å; E321-I324 WeakPolarHBondContact O-CB 3.5Å; E321-I324 PolarHBondContact O-N 3.03Å; E321-I324 VanDerWaalsContact O-N 3.14Å; E321-V325 WeakPolarHBondContact O-CG2 3.3Å; E321-V325 PolarHBondContact O-N 3.01Å
322	R	85.6	Confident	84.3	Confident	132 Å²	132	70.4 Å²	70.4	50%	0.498	33%	0.334	S	S	.	.	H	α-helix	trans	-59.8	-34.2	176.6	-68	179.7	-179.5	-171.7	-0.6	112.5	R313 T316 G318 E319 V320 S326	R313-R322 PolarHBondContact O-NH2 3.38Å; T316-R322 HydrophobicContact CG2-CG 3.8Å; G318-R322 PolarHBondContact O-N 3.01Å; E319-R322 PolarHBondContact O-N 3.31Å; V320-R322 PolarHBondContact O-N 2.92Å; R322-S326 WeakPolarHBondContact O-CB 3.18Å; R322-S326 PolarHBondContact O-N 3.18Å; R322-S326 PolarHBondContact O-OG 3.02Å
323	R	87.4	Confident	84.5	Confident	120 Å²	120	70.9 Å²	70.9	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-71.2	-40.4	177.5	-160.4	-178.9	-68.9	175.2	4.6	111.5	E283 E319 V320 E321 S326 Q327	E283-R323 WeakPolarHBondContact OE1-CD 3.42Å; E283-R323 WeakPolarHBondContact OE1-CG 3.34Å; E319-R323 PolarHBondContact O-N 3.01Å; E319-R323 IonicContact OE1-CZ 3.44Å; E319-R323 IonicContact OE1-NH2 2.69Å; E319-R323 PolarHBondContact OE1-NH2 3.24Å; V320-R323 WeakPolarHBondContact O-CB 3.37Å; V320-R323 PolarHBondContact O-N 3.25Å; V320-R323 VanDerWaalsContact O-N 3.11Å; E321-R323 PolarHBondContact O-N 3.41Å; R323-S326 PolarHBondContact O-N 3.24Å; R323-Q327 WeakPolarHBondContact O-CB 3.37Å; R323-Q327 PolarHBondContact O-N 3.26Å
324	I	89.3	Confident	84.9	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.015	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-46.8	173.6	-64.8	168.5	0	0	0	110.6	M275 L286 I309 V320 E321 S326 Q327 L328	M275-I324 HydrophobicContact SD-CD1 3.76Å; L286-I324 HydrophobicContact CD1-CG2 3.9Å; I309-I324 HydrophobicContact CG2-CG2 3.53Å; V320-I324 HydrophobicContact CG1-CD1 4.17Å; V320-I324 WeakPolarHBondContact O-CG1 3.24Å; V320-I324 PolarHBondContact O-N 3.04Å; E321-I324 WeakPolarHBondContact O-CB 3.5Å; E321-I324 PolarHBondContact O-N 3.03Å; E321-I324 VanDerWaalsContact O-N 3.14Å; I324-S326 VanDerWaalsContact C-N 3.32Å; I324-S326 PolarHBondContact O-N 3.29Å; I324-Q327 WeakPolarHBondContact O-CB 3.27Å; I324-Q327 PolarHBondContact O-N 2.78Å; I324-L328 PolarHBondContact O-N 2.98Å
325	V	90.2	Very high	85.3	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.018	31%	0.308	C	S	.	.	H	α-helix	trans	-57.4	-47.6	174.5	-175.9	0	0	0	0	110.7	A310 E321 Q327 L328 L329 D354	A310-V325 HydrophobicContact CB-CG1 4.24Å; A310-V325 HydrophobicContact CB-CG2 4.13Å; E321-V325 WeakPolarHBondContact O-CG2 3.3Å; E321-V325 PolarHBondContact O-N 3.01Å; V325-Q327 VanDerWaalsContact C-N 3.3Å; V325-Q327 PolarHBondContact O-N 3.39Å; V325-L328 PolarHBondContact O-N 3Å; V325-L329 HydrophobicContact CG1-CD1 4.43Å; V325-L329 HydrophobicContact CG1-CG 4.47Å; V325-L329 VanDerWaalsContact O-CG 3.31Å; V325-L329 WeakPolarHBondContact O-CG 3.48Å; V325-L329 PolarHBondContact O-N 3.31Å; V325-D354 HydrophobicContact CG1-CB 4.14Å
326	S	91.4	Very high	85.4	Confident	52 Å²	52	59.2 Å²	59.2	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-62.8	-36.8	179.9	-57.5	0	0	0	0	112.5	R322 R323 I324 T330	R322-S326 WeakPolarHBondContact O-CB 3.18Å; R322-S326 PolarHBondContact O-N 3.18Å; R322-S326 PolarHBondContact O-OG 3.02Å; R323-S326 PolarHBondContact O-N 3.24Å; I324-S326 VanDerWaalsContact C-N 3.32Å; I324-S326 PolarHBondContact O-N 3.29Å; S326-T330 PolarHBondContact O-N 3.28Å; S326-T330 PolarHBondContact O-OG1 3.38Å
327	Q	92.3	Very high	85	Confident	31 Å²	31	64.2 Å²	64.2	15%	0.145	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-46.3	175.4	-178.4	58.4	37.2	0	0	111.3	E283 R287 R323 I324 V325 L329 T330 L331	E283-Q327 HydrophobicContact CB-CG 4.14Å; E283-Q327 HydrophobicContact CG-CB 4.19Å; E283-Q327 HydrophobicContact CG-CG 4.18Å; R287-Q327 VanDerWaalsContact CG-NE2 3.33Å; R287-Q327 VanDerWaalsContact NH1-CD 3.26Å; R323-Q327 WeakPolarHBondContact O-CB 3.37Å; R323-Q327 PolarHBondContact O-N 3.26Å; I324-Q327 WeakPolarHBondContact O-CB 3.27Å; I324-Q327 PolarHBondContact O-N 2.78Å; V325-Q327 VanDerWaalsContact C-N 3.3Å; V325-Q327 PolarHBondContact O-N 3.39Å; Q327-L329 PolarHBondContact O-N 2.91Å; Q327-T330 WeakPolarHBondContact O-CB 3.49Å; Q327-T330 PolarHBondContact O-N 3.36Å; Q327-L331 HydrophobicContact CG-CD1 4.23Å; Q327-L331 WeakPolarHBondContact O-CG 3.4Å; Q327-L331 PolarHBondContact O-N 3.05Å
328	L	93.8	Very high	84.7	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-43.9	176.5	179.7	60.6	0	0	0	111.5	F290 I303 L306 I309 A310 I324 V325 T330 L331 M332 L357	F290-L328 HydrophobicContact CE2-CD1 4.2Å; F290-L328 HydrophobicContact CZ-CD1 4.13Å; I303-L328 HydrophobicContact CD1-CD1 3.83Å; I303-L328 HydrophobicContact CD1-CD2 4.38Å; L306-L328 HydrophobicContact CD1-CD2 3.81Å; I309-L328 HydrophobicContact CG2-CD2 4.32Å; A310-L328 HydrophobicContact CB-CD2 4.44Å; I324-L328 PolarHBondContact O-N 2.98Å; V325-L328 PolarHBondContact O-N 3Å; L328-T330 VanDerWaalsContact C-N 3.29Å; L328-T330 PolarHBondContact O-N 2.73Å; L328-L331 PolarHBondContact O-N 3.04Å; L328-M332 HydrophobicContact CD1-CG 4.3Å; L328-M332 HydrophobicContact CG-CG 4.49Å; L328-M332 VanDerWaalsContact O-CG 3.31Å; L328-M332 WeakPolarHBondContact O-CG 3.49Å; L328-M332 PolarHBondContact O-N 3.37Å; L328-L357 HydrophobicContact CD2-CD1 4.24Å; L328-L357 HydrophobicContact CD2-CD2 4.15Å; L328-L357 HydrophobicContact CG-CD2 4.25Å
329	L	92.9	Very high	84.3	Confident	12 Å²	12	65.2 Å²	65.2	6%	0.063	32%	0.318	C	S	.	.	H	α-helix	trans	-56.7	-44.2	174.4	-68.9	-178.8	0	0	0	111.9	V325 Q327 M332 D333 A356 L357 R362	V325-L329 HydrophobicContact CG1-CD1 4.43Å; V325-L329 HydrophobicContact CG1-CG 4.47Å; V325-L329 VanDerWaalsContact O-CG 3.31Å; V325-L329 WeakPolarHBondContact O-CG 3.48Å; V325-L329 PolarHBondContact O-N 3.31Å; Q327-L329 PolarHBondContact O-N 2.91Å; L329-M332 PolarHBondContact O-N 3.21Å; L329-D333 VanDerWaalsContact O-CG 3.24Å; L329-D333 PolarHBondContact O-N 3.2Å; L329-A356 HydrophobicContact CD1-CB 3.91Å; L329-A356 HydrophobicContact CD2-CB 4.17Å; L329-L357 HydrophobicContact CD2-CB 4.48Å; L329-L357 HydrophobicContact CD2-CD2 3.49Å; L329-L357 VanDerWaalsContact CD2-CD2 3.49Å; L329-L357 HydrophobicContact CD2-CG 3.67Å; L329-R362 VanDerWaalsContact CD2-NH1 3.35Å
330	T	93.1	Very high	84.4	Confident	87 Å²	87	62.6 Å²	62.6	53%	0.534	31%	0.305	S	S	.	.	H	α-helix	trans	-65.4	-39.5	179.3	-55.5	0	0	0	0	111.7	S326 Q327 L328 G334	S326-T330 PolarHBondContact O-N 3.28Å; S326-T330 PolarHBondContact O-OG1 3.38Å; Q327-T330 WeakPolarHBondContact O-CB 3.49Å; Q327-T330 PolarHBondContact O-N 3.36Å; L328-T330 VanDerWaalsContact C-N 3.29Å; L328-T330 PolarHBondContact O-N 2.73Å; T330-G334 PolarHBondContact O-N 3.31Å
331	L	93.2	Very high	84.8	Confident	27 Å²	27	60.1 Å²	60.1	14%	0.141	29%	0.291	C	S	.	.	H	α-helix	trans	-66.3	-43.9	176.2	-72	170.4	0	0	0	111.9	L286 R287 F290 Q327 L328 D333 G334 L335	L286-L331 HydrophobicContact CB-CD1 3.84Å; R287-L331 HydrophobicContact CG-CD2 4.2Å; F290-L331 HydrophobicContact CB-CD2 4.17Å; F290-L331 HydrophobicContact CD1-CB 3.92Å; F290-L331 HydrophobicContact CD2-CB 4.28Å; F290-L331 HydrophobicContact CD2-CD1 3.87Å; F290-L331 HydrophobicContact CE1-CB 3.86Å; F290-L331 HydrophobicContact CE2-CB 4.22Å; F290-L331 HydrophobicContact CE2-CD1 4.15Å; F290-L331 HydrophobicContact CG-CB 4.13Å; F290-L331 HydrophobicContact CG-CD1 4.23Å; F290-L331 HydrophobicContact CG-CD2 4.23Å; F290-L331 HydrophobicContact CG-CG 4.43Å; F290-L331 HydrophobicContact CZ-CB 4.01Å; Q327-L331 HydrophobicContact CG-CD1 4.23Å; Q327-L331 WeakPolarHBondContact O-CG 3.4Å; Q327-L331 PolarHBondContact O-N 3.05Å; L328-L331 PolarHBondContact O-N 3.04Å; L331-D333 PolarHBondContact O-N 2.73Å; L331-G334 PolarHBondContact O-N 2.95Å; L331-L335 PolarHBondContact O-N 3.28Å; L331-L335 VanDerWaalsContact O-N 3.16Å
332	M	91.9	Very high	85.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-43	176	-70.1	-65.4	-69.7	0	0	112.2	F290 L328 L329 G334 L335 V343 R362 F363	F290-M332 HydrophobicContact CE1-SD 4.33Å; F290-M332 HydrophobicContact CZ-SD 4.15Å; L328-M332 HydrophobicContact CD1-CG 4.3Å; L328-M332 HydrophobicContact CG-CG 4.49Å; L328-M332 VanDerWaalsContact O-CG 3.31Å; L328-M332 WeakPolarHBondContact O-CG 3.49Å; L328-M332 PolarHBondContact O-N 3.37Å; L329-M332 PolarHBondContact O-N 3.21Å; M332-G334 VanDerWaalsContact C-N 3.32Å; M332-L335 HydrophobicContact SD-CD1 4.35Å; M332-V343 HydrophobicContact CE-CB 4.04Å; M332-V343 HydrophobicContact CE-CG1 4.32Å; M332-V343 HydrophobicContact CE-CG2 4.36Å; M332-V343 HydrophobicContact SD-CB 3.83Å; M332-V343 HydrophobicContact SD-CG1 3.8Å; M332-V343 HydrophobicContact SD-CG2 3.71Å; M332-R362 HydrophobicContact CB-CB 4.45Å; M332-R362 HydrophobicContact CB-CG 4.06Å; M332-R362 HydrophobicContact CE-CB 4.21Å; M332-F363 HydrophobicContact CE-CD1 4.37Å; M332-F363 HydrophobicContact CE-CD2 4.46Å; M332-F363 HydrophobicContact CE-CE1 4.15Å; M332-F363 HydrophobicContact CE-CE2 4.29Å; M332-F363 HydrophobicContact CE-CZ 4.1Å; M332-F363 HydrophobicContact SD-CZ 4.49Å
333	D	89.5	Confident	85.8	Confident	78 Å²	78	51 Å²	51	42%	0.417	25%	0.254	S	S	.	.	H	α-helix	trans	-68.6	-35.7	176.3	-67.1	-18.3	0	0	0	111.5	R239 L329 L331 L335 R362	R239-D333 PolarHBondContact NH1-O 3.18Å; L329-D333 VanDerWaalsContact O-CG 3.24Å; L329-D333 PolarHBondContact O-N 3.2Å; L331-D333 PolarHBondContact O-N 2.73Å; D333-L335 VanDerWaalsContact C-N 3.27Å; D333-L335 PolarHBondContact O-N 3.09Å; D333-R362 IonicContact OD1-CZ 2.54Å; D333-R362 IonicContact OD1-NE 2.65Å; D333-R362 PolarHBondContact OD1-NE 3.35Å; D333-R362 IonicContact OD1-NH2 3.71Å; D333-R362 PolarHBondContact OD1-NH2 3.42Å; D333-R362 IonicContact OD2-CZ 3.62Å; D333-R362 IonicContact OD2-NE 3.55Å; D333-R362 IonicContact OD2-NH2 3.48Å; D333-R362 PolarHBondContact OD2-NH2 2.98Å
334	G	86.3	Confident	86.2	Confident	51 Å²	51	45.3 Å²	45.3	53%	0.526	23%	0.232	S	C	.	.	H	α-helix	trans	-71.2	-11.7	-179.7	0	0	0	0	0	115.2	T330 L331 M332 K336	T330-G334 PolarHBondContact O-N 3.31Å; L331-G334 PolarHBondContact O-N 2.95Å; M332-G334 VanDerWaalsContact C-N 3.32Å; G334-K336 PolarHBondContact O-N 3.17Å
335	L	83.3	Confident	86.6	Confident	19 Å²	19	45.1 Å²	45.1	10%	0.099	23%	0.231	C	C	.	.			trans	-59.2	107.5	175	-73.6	171.8	0	0	0	110.5	R239 F290 L331 M332 D333 V341 V343	R239-L335 PolarHBondContact NH1-O 2.82Å; R239-L335 PolarHBondContact NH2-O 2.72Å; F290-L335 HydrophobicContact CD1-CD2 3.87Å; F290-L335 HydrophobicContact CD1-CG 4.38Å; F290-L335 HydrophobicContact CE1-CD1 4.22Å; F290-L335 HydrophobicContact CE1-CD2 4.04Å; F290-L335 HydrophobicContact CE1-CG 4.17Å; L331-L335 PolarHBondContact O-N 3.28Å; L331-L335 VanDerWaalsContact O-N 3.16Å; M332-L335 HydrophobicContact SD-CD1 4.35Å; D333-L335 VanDerWaalsContact C-N 3.27Å; D333-L335 PolarHBondContact O-N 3.09Å; L335-V341 HydrophobicContact CD2-CB 4.44Å; L335-V341 HydrophobicContact CD2-CG1 4.29Å; L335-V343 HydrophobicContact CD1-CG2 3.64Å
336	K	72.8	Confident	86.9	Confident	138 Å²	138	45 Å²	45	60%	0.6	23%	0.23	S	C	*	.			trans	-67.1	137.8	175.5	-64.2	174	-169	153.7	0	108.7	E294 G334 R338 A339	E294-K336 IonicContact OE1-NZ 2.66Å; G334-K336 PolarHBondContact O-N 3.17Å; K336-R338 PolarHBondContact O-N 2.96Å; K336-A339 WeakPolarHBondContact O-CB 3.4Å; K336-A339 PolarHBondContact O-N 3.48Å
337	Q	64.4	Low	87	Confident	109 Å²	109	42.6 Å²	42.6	51%	0.509	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.6	178	-73.7	-178.6	-23.9	0	0	114.6	K236	K236-Q337 VanDerWaalsContact CG-NE2 3.31Å
338	R	62.9	Low	86.8	Confident	226 Å²	226	43.8 Å²	43.8	85%	0.853	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-7.5	179.8	-62.3	-174.8	-177.9	-179	1.4	113.8	K336 H340	K336-R338 PolarHBondContact O-N 2.96Å; R338-H340 PolarHBondContact O-CD2 2.95Å; R338-H340 VanDerWaalsContact O-CD2 3.25Å; R338-H340 PolarHBondContact O-N 3.17Å
339	A	67.3	Low	86.4	Confident	8 Å²	8	52 Å²	52	7%	0.066	25%	0.252	C	S	.	.	S	Bend	trans	-74.7	-10.9	-174.2	0	0	0	0	0	113.5	E294 A297 K336 V341	E294-A339 HydrophobicContact CG-CB 3.85Å; A297-A339 WeakPolarHBondContact CB-O 3.43Å; K336-A339 WeakPolarHBondContact O-CB 3.4Å; K336-A339 PolarHBondContact O-N 3.48Å; A339-V341 HydrophobicContact CB-CG2 4.22Å; A339-V341 VanDerWaalsContact O-CG2 3.26Å; A339-V341 WeakPolarHBondContact O-CG2 3.37Å; A339-V341 PolarHBondContact O-N 3.39Å; A339-V341 VanDerWaalsContact O-N 3.14Å
340	H	83.6	Confident	86	Confident	85 Å²	85	52.3 Å²	52.3	39%	0.394	26%	0.255	S	S	.	.			trans	47.8	41	-178.6	-57.8	-58.6	0	0	0	113.5	P227 A297 P298 A299 R338	P227-H340 VanDerWaalsContact CB-CE1 3.43Å; P227-H340 WeakPolarHBondContact CB-CE1 3.44Å; A297-H340 HydrophobicContact CB-CB 4.38Å; P298-H340 WeakPolarHBondContact CA-O 3.3Å; A299-H340 PolarHBondContact N-O 3.45Å; R338-H340 PolarHBondContact O-CD2 2.95Å; R338-H340 VanDerWaalsContact O-CD2 3.25Å; R338-H340 PolarHBondContact O-N 3.17Å
341	V	89.9	Confident	85.6	Confident	17 Å²	17	52.1 Å²	52.1	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.5	179.5	175	0	0	0	0	108.8	A293 A297 A299 I301 L335 A339	A293-V341 HydrophobicContact CB-CG1 4.4Å; A297-V341 HydrophobicContact CB-CG2 4.37Å; A299-V341 HydrophobicContact CB-CG2 4.22Å; A299-V341 WeakPolarHBondContact O-CA 3.43Å; I301-V341 HydrophobicContact CD1-CG1 3.79Å; I301-V341 HydrophobicContact CG1-CG1 3.95Å; L335-V341 HydrophobicContact CD2-CB 4.44Å; L335-V341 HydrophobicContact CD2-CG1 4.29Å; A339-V341 HydrophobicContact CB-CG2 4.22Å; A339-V341 VanDerWaalsContact O-CG2 3.26Å; A339-V341 WeakPolarHBondContact O-CG2 3.37Å; A339-V341 PolarHBondContact O-N 3.39Å; A339-V341 VanDerWaalsContact O-N 3.14Å
342	I	92.1	Very high	85.2	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.9	172.7	-65.2	176	0	0	0	108.3	V220 P223 L224 I241 A299 I300 I301 M344	V220-I342 HydrophobicContact CB-CD1 4.34Å; V220-I342 HydrophobicContact CG1-CD1 4.06Å; V220-I342 HydrophobicContact CG2-CD1 4.48Å; P223-I342 HydrophobicContact CB-CD1 4.28Å; P223-I342 HydrophobicContact CG-CD1 4.44Å; L224-I342 HydrophobicContact CD1-CD1 4.32Å; L224-I342 HydrophobicContact CD2-CD1 4.33Å; L224-I342 HydrophobicContact CG-CD1 4.03Å; I241-I342 HydrophobicContact CD1-CG2 4.39Å; A299-I342 PolarHBondContact O-N 2.91Å; I300-I342 WeakPolarHBondContact CA-O 3.18Å; I301-I342 PolarHBondContact N-O 2.89Å; I342-M344 HydrophobicContact CG2-CG 4.28Å
343	V	95.1	Very high	85.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	117	174.2	-173.5	0	0	0	0	109	R239 G240 I241 F290 I301 I303 M332 L335 F363	R239-V343 PolarHBondContact O-N 3.05Å; G240-V343 CarbonylContact C-O 3.57Å; G240-V343 WeakPolarHBondContact CA-O 3.26Å; I241-V343 PolarHBondContact N-O 2.91Å; F290-V343 HydrophobicContact CE1-CG2 4Å; F290-V343 HydrophobicContact CZ-CG2 4.14Å; I301-V343 HydrophobicContact CB-CG1 4.48Å; I301-V343 HydrophobicContact CB-CG2 4.32Å; I301-V343 HydrophobicContact CD1-CG2 4.32Å; I301-V343 CarbonylContact O-C 3.59Å; I301-V343 WeakPolarHBondContact O-CA 3.4Å; I303-V343 HydrophobicContact CD1-CG1 4.01Å; I303-V343 HydrophobicContact CG1-CG1 4.41Å; M332-V343 HydrophobicContact CE-CB 4.04Å; M332-V343 HydrophobicContact CE-CG1 4.32Å; M332-V343 HydrophobicContact CE-CG2 4.36Å; M332-V343 HydrophobicContact SD-CB 3.83Å; M332-V343 HydrophobicContact SD-CG1 3.8Å; M332-V343 HydrophobicContact SD-CG2 3.71Å; L335-V343 HydrophobicContact CD1-CG2 3.64Å; V343-F363 HydrophobicContact CB-CE1 4.45Å; V343-F363 HydrophobicContact CG1-CE1 3.97Å; V343-F363 HydrophobicContact CG1-CZ 3.94Å
344	M	96.3	Very high	85.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.2	170.5	-68.1	-176.8	71.4	0	0	108.5	I216 V220 I241 L243 A255 I300 I301 F302 I303 I342	I216-M344 HydrophobicContact CG2-CE 4.14Å; V220-M344 HydrophobicContact CG2-SD 4.37Å; I241-M344 HydrophobicContact CB-CG 4.3Å; I241-M344 CarbonylContact O-C 3.47Å; I241-M344 WeakPolarHBondContact O-CA 3.48Å; L243-M344 HydrophobicContact CD1-CE 3.94Å; L243-M344 HydrophobicContact CD2-CE 4.37Å; L243-M344 HydrophobicContact CG-CE 4.34Å; A255-M344 HydrophobicContact CB-CE 4.08Å; A255-M344 HydrophobicContact CB-SD 4.39Å; I300-M344 HydrophobicContact CG2-CB 4.3Å; I300-M344 HydrophobicContact CG2-CG 4.01Å; I300-M344 HydrophobicContact CG2-SD 3.88Å; I301-M344 PolarHBondContact O-N 3.28Å; F302-M344 CarbonylContact C-O 3.57Å; F302-M344 VanDerWaalsContact CA-O 3.27Å; F302-M344 WeakPolarHBondContact CA-O 3.44Å; F302-M344 HydrophobicContact CD2-CB 3.66Å; F302-M344 HydrophobicContact CE2-CB 4.34Å; I303-M344 PolarHBondContact N-O 3.48Å; I342-M344 HydrophobicContact CG2-CG 4.28Å
345	A	96.8	Very high	85.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.1	175	0	0	0	0	0	111.2	I241 L242 L243 I303 L306 F363	I241-A345 PolarHBondContact O-N 3.08Å; L242-A345 HydrophobicContact CD1-CB 4.03Å; L243-A345 PolarHBondContact N-O 3.36Å; I303-A345 HydrophobicContact CB-CB 4.08Å; I303-A345 CarbonylContact O-C 3.53Å; I303-A345 WeakPolarHBondContact O-CA 3.32Å; L306-A345 HydrophobicContact CB-CB 4.21Å; L306-A345 HydrophobicContact CD2-CB 3.8Å; L306-A345 HydrophobicContact CG-CB 4.39Å; A345-F363 HydrophobicContact CB-CD1 4.42Å; A345-F363 HydrophobicContact CB-CE1 3.54Å; A345-F363 HydrophobicContact CB-CE2 4.22Å; A345-F363 HydrophobicContact CB-CZ 3.42Å; A345-F363 VanDerWaalsContact CB-CZ 3.42Å
346	A	96.3	Very high	85.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.6	175.5	0	0	0	0	0	111.4	L243 K251 F302 I303 E305 L306	L243-A346 CarbonylContact O-C 3.28Å; L243-A346 VanDerWaalsContact O-CA 3.28Å; L243-A346 WeakPolarHBondContact O-CA 3.49Å; K251-A346 HydrophobicContact CB-CB 3.85Å; K251-A346 HydrophobicContact CD-CB 4.09Å; F302-A346 HydrophobicContact CE2-CB 4.11Å; F302-A346 HydrophobicContact CZ-CB 3.6Å; I303-A346 PolarHBondContact O-N 2.83Å; E305-A346 PolarHBondContact N-O 3.31Å; L306-A346 PolarHBondContact N-O 3.35Å
347	T	93.3	Very high	86.8	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.3	169.8	-175.5	0	0	0	0	111.3	L242 L243 Y244 G245 D307 R349 I353	L242-T347 HydrophobicContact CD1-CG2 4.04Å; L242-T347 HydrophobicContact CG-CG2 4.48Å; L243-T347 PolarHBondContact O-N 2.83Å; Y244-T347 VanDerWaalsContact CA-O 3.24Å; Y244-T347 WeakPolarHBondContact CA-O 3.47Å; G245-T347 PolarHBondContact N-O 3.49Å; D307-T347 VanDerWaalsContact CG-OG1 3.23Å; D307-T347 PolarHBondContact OD1-OG1 3.32Å; T347-R349 PolarHBondContact OG1-N 3.2Å; T347-R349 VanDerWaalsContact OG1-N 3.11Å; T347-I353 HydrophobicContact CG2-CD1 4.35Å; T347-I353 HydrophobicContact CG2-CG1 4.08Å
348	N	88.6	Confident	88	Confident	56 Å²	56	41.6 Å²	41.6	30%	0.299	19%	0.193	S	C	.	.	S	Bend	trans	-87	-13.7	171	-59.5	-41	0	0	0	112.2	G245 K251	G245-N348 WeakPolarHBondContact O-CA 3.49Å; G245-N348 PolarHBondContact O-OD1 2.83Å; K251-N348 WeakPolarHBondContact CE-OD1 3.31Å; K251-N348 PolarHBondContact NZ-OD1 2.65Å
349	R	84.3	Confident	89.3	Confident	172 Å²	172	38.7 Å²	38.7	65%	0.649	18%	0.182	S	C	*	.			trans	-137.2	84.1	-171.6	-66.4	178.7	-176.2	165.4	1.9	109.7	T347 N351 S352	T347-R349 PolarHBondContact OG1-N 3.2Å; T347-R349 VanDerWaalsContact OG1-N 3.11Å; R349-N351 PolarHBondContact O-N 3.2Å; R349-S352 WeakPolarHBondContact CB-OG 3.22Å; R349-S352 PolarHBondContact O-N 2.79Å; R349-S352 PolarHBondContact O-OG 2.6Å
350	P	85.8	Confident	90.2	Very high	19 Å²	19	47.2 Å²	47.2	12%	0.123	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58.7	-26.7	-178.8	25.5	-35.3	0	0	0	112.7	Y244 S352	Y244-P350 HydrophobicContact CD2-CB 4.16Å; Y244-P350 HydrophobicContact CD2-CG 3.73Å; Y244-P350 HydrophobicContact CE2-CG 4.23Å; Y244-P350 HydrophobicContact CG-CB 4.08Å; Y244-P350 HydrophobicContact CG-CG 4.14Å; P350-S352 VanDerWaalsContact C-N 3.35Å
351	N	84	Confident	90.2	Very high	84 Å²	84	44 Å²	44	45%	0.449	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-77.3	-13.1	178.2	-68.7	-30	0	0	0	114.5	K312 R349	K312-N351 WeakPolarHBondContact CD-O 3.4Å; K312-N351 WeakPolarHBondContact CE-O 3.44Å; K312-N351 PolarHBondContact NZ-O 3.33Å; R349-N351 PolarHBondContact O-N 3.2Å
352	S	85.7	Confident	90.3	Very high	20 Å²	20	44.9 Å²	44.9	14%	0.14	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-87.3	-18.3	175.7	66.5	0	0	0	0	113	D307 P311 K312 R349 P350	D307-S352 WeakPolarHBondContact CB-OG 3.48Å; P311-S352 CarbonylContact C-O 3.51Å; P311-S352 VanDerWaalsContact CA-O 3.27Å; P311-S352 WeakPolarHBondContact CA-O 3.27Å; K312-S352 PolarHBondContact N-O 3.12Å; R349-S352 WeakPolarHBondContact CB-OG 3.22Å; R349-S352 PolarHBondContact O-N 2.79Å; R349-S352 PolarHBondContact O-OG 2.6Å; P350-S352 VanDerWaalsContact C-N 3.35Å
353	I	90.9	Very high	90.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-68.8	143.6	-178.4	-55.3	-57.2	0	0	0	111.9	L306 D307 A310 T347 P355 L357	L306-I353 HydrophobicContact CB-CD1 4.13Å; L306-I353 HydrophobicContact CD2-CD1 4.09Å; L306-I353 HydrophobicContact CD2-CG2 4.24Å; L306-I353 HydrophobicContact CG-CD1 3.93Å; D307-I353 VanDerWaalsContact CA-CD1 3.44Å; D307-I353 HydrophobicContact CB-CD1 3.61Å; A310-I353 WeakPolarHBondContact O-CA 3.29Å; T347-I353 HydrophobicContact CG2-CD1 4.35Å; T347-I353 HydrophobicContact CG2-CG1 4.08Å; I353-P355 WeakPolarHBondContact O-CD 3.12Å; I353-L357 HydrophobicContact CG2-CB 4.07Å; I353-L357 HydrophobicContact CG2-CD1 3.97Å
354	D	91.1	Very high	90	Very high	8 Å²	8	46.7 Å²	46.7	4%	0.043	22%	0.219	C	C	.	.			trans	-56.3	119.6	170.7	-172.6	-32.8	0	0	0	109.9	A310 R313 V325 A356 L357	A310-D354 PolarHBondContact O-N 2.9Å; R313-D354 WeakPolarHBondContact CG-OD2 3.37Å; R313-D354 IonicContact CZ-OD2 3.53Å; R313-D354 IonicContact NE-OD2 3.54Å; R313-D354 PolarHBondContact NE-OD2 3.44Å; R313-D354 IonicContact NH2-OD2 2.82Å; V325-D354 HydrophobicContact CG1-CB 4.14Å; D354-A356 PolarHBondContact O-N 3.47Å; D354-A356 WeakPolarHBondContact OD1-CB 3.23Å; D354-A356 PolarHBondContact OD1-N 3.33Å; D354-L357 WeakPolarHBondContact O-CB 3.01Å; D354-L357 PolarHBondContact O-N 3.01Å
355	P	89.8	Confident	89.7	Confident	73 Å²	73	52.9 Å²	52.9	47%	0.474	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.5	179.6	-25.8	34.6	0	0	0	114.4	I353 L357 R358	I353-P355 WeakPolarHBondContact O-CD 3.12Å; P355-L357 PolarHBondContact O-N 3.3Å; P355-R358 PolarHBondContact O-N 3.16Å
356	A	91.4	Very high	89.5	Confident	10 Å²	10	56 Å²	56	8%	0.083	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.7	174.3	0	0	0	0	0	112.5	L329 D354 R358 R362	L329-A356 HydrophobicContact CD1-CB 3.91Å; L329-A356 HydrophobicContact CD2-CB 4.17Å; D354-A356 PolarHBondContact O-N 3.47Å; D354-A356 WeakPolarHBondContact OD1-CB 3.23Å; D354-A356 PolarHBondContact OD1-N 3.33Å; A356-R358 VanDerWaalsContact C-N 3.35Å; A356-R362 VanDerWaalsContact O-CD 3.3Å; A356-R362 WeakPolarHBondContact O-CD 3.34Å; A356-R362 PolarHBondContact O-NH1 3.1Å
357	L	92.7	Very high	89.3	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-29.8	178.6	-84	171.2	0	0	0	112.9	L306 A310 L328 L329 I353 D354 P355 R359 R362 F363	L306-L357 HydrophobicContact CD1-CD1 4.37Å; L306-L357 HydrophobicContact CD2-CD1 4.36Å; A310-L357 HydrophobicContact CB-CD1 3.25Å; L328-L357 HydrophobicContact CD2-CD1 4.24Å; L328-L357 HydrophobicContact CD2-CD2 4.15Å; L328-L357 HydrophobicContact CG-CD2 4.25Å; L329-L357 HydrophobicContact CD2-CB 4.48Å; L329-L357 HydrophobicContact CD2-CD2 3.49Å; L329-L357 VanDerWaalsContact CD2-CD2 3.49Å; L329-L357 HydrophobicContact CD2-CG 3.67Å; I353-L357 HydrophobicContact CG2-CB 4.07Å; I353-L357 HydrophobicContact CG2-CD1 3.97Å; D354-L357 WeakPolarHBondContact O-CB 3.01Å; D354-L357 PolarHBondContact O-N 3.01Å; P355-L357 PolarHBondContact O-N 3.3Å; L357-R359 PolarHBondContact O-N 3Å; L357-R362 VanDerWaalsContact O-CB 3.25Å; L357-R362 WeakPolarHBondContact O-CB 3.42Å; L357-F363 HydrophobicContact CB-CD2 4.05Å; L357-F363 HydrophobicContact CD2-CD2 4.06Å; L357-F363 HydrophobicContact CD2-CE2 3.92Å; L357-F363 WeakPolarHBondContact O-CB 3.49Å; L357-F363 PolarHBondContact O-N 3.15Å
358	R	90.9	Very high	89	Confident	88 Å²	88	57.8 Å²	57.8	33%	0.332	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	8.4	-179.9	-61.1	175.5	65	178.1	1.2	113.8	L242 P355 A356 F363 E366	L242-R358 HydrophobicContact CD2-CG 4.37Å; P355-R358 PolarHBondContact O-N 3.16Å; A356-R358 VanDerWaalsContact C-N 3.35Å; R358-F363 CarbonylContact C-O 3.58Å; R358-F363 WeakPolarHBondContact CA-O 3.3Å; R358-E366 IonicContact CZ-OE1 2.74Å; R358-E366 VanDerWaalsContact CZ-OE1 3.24Å; R358-E366 IonicContact CZ-OE2 2.95Å; R358-E366 IonicContact NE-OE1 3.31Å; R358-E366 PolarHBondContact NE-OE1 3.27Å; R358-E366 IonicContact NE-OE2 3.78Å; R358-E366 IonicContact NH2-OE1 3.32Å; R358-E366 PolarHBondContact NH2-OE1 2.97Å; R358-E366 IonicContact NH2-OE2 2.73Å; R358-E366 PolarHBondContact NH2-OE2 2.81Å
359	R	89.9	Confident	89.2	Confident	164 Å²	164	55.1 Å²	55.1	62%	0.619	25%	0.252	S	S	*	.	S	Bend	trans	-82.1	151.5	179.9	-67.5	-177.1	-178.3	-175	-0.3	111.1	L357 G361 R362	L357-R359 PolarHBondContact O-N 3Å; R359-G361 PolarHBondContact O-N 2.92Å; R359-R362 PolarHBondContact O-N 3.17Å; R359-R362 VanDerWaalsContact O-N 3.08Å
360	F	85.2	Confident	89.3	Confident	188 Å²	188	47.7 Å²	47.7	83%	0.825	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	132.3	177.6	-169.6	-98.4	0	0	0	112.1	D364	F360-D364 HydrophobicContact CD2-CB 4.06Å
361	G	83.8	Confident	89.4	Confident	18 Å²	18	47.8 Å²	47.8	19%	0.186	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-2.8	-175.1	0	0	0	0	0	115.5	R239 R359 D364	R239-G361 WeakPolarHBondContact CD-O 3.33Å; R359-G361 PolarHBondContact O-N 2.92Å; G361-D364 PolarHBondContact N-OD2 3.2Å
362	R	92.1	Very high	89.6	Confident	35 Å²	35	44.2 Å²	44.2	13%	0.132	21%	0.21	C	C	.	.	S	Bend	trans	-118.8	-116.1	172	-61.1	171.3	-177.5	167.7	-4.9	108.9	G240 L329 M332 D333 A356 L357 R359 D364	G240-R362 WeakPolarHBondContact CA-O 3.43Å; G240-R362 PolarHBondContact N-O 2.84Å; L329-R362 VanDerWaalsContact CD2-NH1 3.35Å; M332-R362 HydrophobicContact CB-CB 4.45Å; M332-R362 HydrophobicContact CB-CG 4.06Å; M332-R362 HydrophobicContact CE-CB 4.21Å; D333-R362 IonicContact OD1-CZ 2.54Å; D333-R362 IonicContact OD1-NE 2.65Å; D333-R362 PolarHBondContact OD1-NE 3.35Å; D333-R362 IonicContact OD1-NH2 3.71Å; D333-R362 PolarHBondContact OD1-NH2 3.42Å; D333-R362 IonicContact OD2-CZ 3.62Å; D333-R362 IonicContact OD2-NE 3.55Å; D333-R362 IonicContact OD2-NH2 3.48Å; D333-R362 PolarHBondContact OD2-NH2 2.98Å; A356-R362 VanDerWaalsContact O-CD 3.3Å; A356-R362 WeakPolarHBondContact O-CD 3.34Å; A356-R362 PolarHBondContact O-NH1 3.1Å; L357-R362 VanDerWaalsContact O-CB 3.25Å; L357-R362 WeakPolarHBondContact O-CB 3.42Å; R359-R362 PolarHBondContact O-N 3.17Å; R359-R362 VanDerWaalsContact O-N 3.08Å; R362-D364 VanDerWaalsContact C-N 3.29Å; R362-D364 PolarHBondContact O-N 2.72Å; R362-D364 VanDerWaalsContact O-N 3.12Å
363	F	93.3	Very high	89.6	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	79.9	166.7	-63.6	-65.9	0	0	0	109.4	L242 L306 M332 V343 A345 L357 R358	L242-F363 HydrophobicContact CB-CB 4.1Å; L242-F363 HydrophobicContact CB-CD1 4.26Å; L242-F363 HydrophobicContact CB-CG 4.27Å; L306-F363 HydrophobicContact CD1-CE2 4.44Å; L306-F363 HydrophobicContact CD2-CD2 4.21Å; L306-F363 HydrophobicContact CD2-CE2 3.7Å; L306-F363 HydrophobicContact CD2-CZ 4.24Å; M332-F363 HydrophobicContact CE-CD1 4.37Å; M332-F363 HydrophobicContact CE-CD2 4.46Å; M332-F363 HydrophobicContact CE-CE1 4.15Å; M332-F363 HydrophobicContact CE-CE2 4.29Å; M332-F363 HydrophobicContact CE-CZ 4.1Å; M332-F363 HydrophobicContact SD-CZ 4.49Å; V343-F363 HydrophobicContact CB-CE1 4.45Å; V343-F363 HydrophobicContact CG1-CE1 3.97Å; V343-F363 HydrophobicContact CG1-CZ 3.94Å; A345-F363 HydrophobicContact CB-CD1 4.42Å; A345-F363 HydrophobicContact CB-CE1 3.54Å; A345-F363 HydrophobicContact CB-CE2 4.22Å; A345-F363 HydrophobicContact CB-CZ 3.42Å; A345-F363 VanDerWaalsContact CB-CZ 3.42Å; L357-F363 HydrophobicContact CB-CD2 4.05Å; L357-F363 HydrophobicContact CD2-CD2 4.06Å; L357-F363 HydrophobicContact CD2-CE2 3.92Å; L357-F363 WeakPolarHBondContact O-CB 3.49Å; L357-F363 PolarHBondContact O-N 3.15Å; R358-F363 CarbonylContact C-O 3.58Å; R358-F363 WeakPolarHBondContact CA-O 3.3Å
364	D	87.8	Confident	89.4	Confident	41 Å²	41	47.1 Å²	47.1	22%	0.219	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-6.1	-178.9	56.2	7	0	0	0	113.3	G240 F360 G361 R362	G240-D364 PolarHBondContact O-N 3.5Å; F360-D364 HydrophobicContact CD2-CB 4.06Å; G361-D364 PolarHBondContact N-OD2 3.2Å; R362-D364 VanDerWaalsContact C-N 3.29Å; R362-D364 PolarHBondContact O-N 2.72Å; R362-D364 VanDerWaalsContact O-N 3.12Å
365	R	90.7	Very high	89.3	Confident	130 Å²	130	50.9 Å²	50.9	49%	0.491	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.7	172.2	-61.1	-61.7	-175.1	167.7	3.2	109.8	M219 P238 G240 I241 L242	M219-R365 HydrophobicContact SD-CB 3.71Å; M219-R365 HydrophobicContact SD-CG 3.52Å; M219-R365 VanDerWaalsContact SD-CG 3.52Å; P238-R365 HydrophobicContact CB-CG 3.92Å; G240-R365 PolarHBondContact O-N 2.9Å; I241-R365 WeakPolarHBondContact CA-O 3.42Å; I241-R365 HydrophobicContact CG1-CB 4.23Å; L242-R365 PolarHBondContact N-O 3.15Å
366	E	92	Very high	89.4	Confident	65 Å²	65	47.4 Å²	47.4	30%	0.304	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133	178.6	-57.9	-178	-169.9	0	0	108.5	L242 Y244 R358	L242-E366 HydrophobicContact CB-CG 4.33Å; L242-E366 HydrophobicContact CD2-CG 4.45Å; L242-E366 CarbonylContact O-C 3.49Å; L242-E366 VanDerWaalsContact O-CA 3.31Å; L242-E366 WeakPolarHBondContact O-CA 3.41Å; Y244-E366 HydrophobicContact CD1-CB 4.46Å; Y244-E366 HydrophobicContact CE1-CB 3.95Å; R358-E366 IonicContact CZ-OE1 2.74Å; R358-E366 VanDerWaalsContact CZ-OE1 3.24Å; R358-E366 IonicContact CZ-OE2 2.95Å; R358-E366 IonicContact NE-OE1 3.31Å; R358-E366 PolarHBondContact NE-OE1 3.27Å; R358-E366 IonicContact NE-OE2 3.78Å; R358-E366 IonicContact NH2-OE1 3.32Å; R358-E366 PolarHBondContact NH2-OE1 2.97Å; R358-E366 IonicContact NH2-OE2 2.73Å; R358-E366 PolarHBondContact NH2-OE2 2.81Å
367	V	91.6	Very high	89.5	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121	-178.7	-172.7	0	0	0	0	108.8	Q212 I216 M219 I241 L242 L243 Y244 I369	Q212-V367 HydrophobicContact CB-CG1 3.89Å; Q212-V367 HydrophobicContact CG-CG1 4Å; I216-V367 HydrophobicContact CD1-CG1 4.34Å; I216-V367 HydrophobicContact CG1-CG1 4.45Å; I216-V367 HydrophobicContact CG1-CG2 4.26Å; M219-V367 HydrophobicContact CE-CG2 3.72Å; I241-V367 HydrophobicContact CG2-CG2 4.02Å; L242-V367 PolarHBondContact O-N 3.05Å; L243-V367 WeakPolarHBondContact CA-O 3.01Å; L243-V367 HydrophobicContact CD2-CB 3.9Å; L243-V367 HydrophobicContact CD2-CG2 4.32Å; Y244-V367 WeakPolarHBondContact CD1-O 3.44Å; Y244-V367 PolarHBondContact N-O 2.95Å; V367-I369 HydrophobicContact CG1-CD1 3.82Å
368	D	88.7	Confident	89.7	Confident	37 Å²	37	49 Å²	49	20%	0.198	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.6	175.9	-174.7	17.4	0	0	0	110.7	Q212 Y244	Q212-D368 WeakPolarHBondContact CG-O 3.42Å; Q212-D368 PolarHBondContact NE2-O 2.89Å; Y244-D368 HydrophobicContact CE1-CB 4.15Å; Y244-D368 HydrophobicContact CE2-CB 3.8Å
369	I	91.6	Very high	89.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.226	C	C	.	.			trans	-101	78	173.8	-47.3	-55.8	0	0	0	107.9	V209 Q212 L243 Y244 P246 T249 K251 I254 V367	V209-I369 HydrophobicContact CG1-CG2 4.16Å; Q212-I369 HydrophobicContact CB-CD1 3.78Å; Q212-I369 HydrophobicContact CG-CD1 3.89Å; L243-I369 HydrophobicContact CB-CG1 4.38Å; Y244-I369 PolarHBondContact O-N 3.12Å; P246-I369 WeakPolarHBondContact CD-O 3.49Å; T249-I369 WeakPolarHBondContact CB-O 3.5Å; T249-I369 WeakPolarHBondContact O-CG2 3.29Å; T249-I369 PolarHBondContact OG1-O 3.04Å; K251-I369 HydrophobicContact CG-CB 4.1Å; K251-I369 HydrophobicContact CG-CG1 4.11Å; K251-I369 HydrophobicContact CG-CG2 4.43Å; I254-I369 HydrophobicContact CD1-CD1 3.85Å; I254-I369 HydrophobicContact CD1-CG1 4.13Å; I254-I369 HydrophobicContact CD1-CG2 3.87Å; V367-I369 HydrophobicContact CG1-CD1 3.82Å
370	G	86.3	Confident	90.1	Very high	16 Å²	16	39 Å²	39	17%	0.165	20%	0.2	C	C	.	.			trans	-72.8	-178.1	-179.3	0	0	0	0	0	114.5
371	I	87.3	Confident	90.7	Very high	21 Å²	21	30 Å²	30	11%	0.108	16%	0.16	C	C	.	.			trans	-68.7	137.4	175.4	-54	163.4	0	0	0	108.7	P246 V407 A463 E466	P246-I371 HydrophobicContact CG-CG1 4.1Å; I371-V407 HydrophobicContact CG1-CG1 4.33Å; I371-A463 HydrophobicContact CD1-CB 3.41Å; I371-A463 VanDerWaalsContact CD1-CB 3.41Å; I371-A463 HydrophobicContact CG1-CB 3.84Å; I371-E466 HydrophobicContact CD1-CB 3.84Å
372	P	89.3	Confident	91.2	Very high	9 Å²	9	34 Å²	34	6%	0.058	17%	0.174	C	C	.	.			trans	-65.4	141.7	177.4	27.2	-35.8	0	0	0	112.7	R377 I380 H406	P372-R377 HydrophobicContact CB-CG 3.94Å; P372-R377 HydrophobicContact CG-CG 3.76Å; P372-R377 PolarHBondContact O-NH1 3.4Å; P372-I380 HydrophobicContact CB-CD1 3.86Å; P372-I380 HydrophobicContact CG-CD1 3.78Å; P372-H406 WeakPolarHBondContact CG-O 3.41Å
373	D	85.9	Confident	91.2	Very high	53 Å²	53	33.7 Å²	33.7	28%	0.283	18%	0.175	S	C	.	.			trans	-76	179.5	169.2	65.6	-0.2	0	0	0	111.4	T375 G376 R377 E470	D373-T375 VanDerWaalsContact C-N 3.31Å; D373-T375 PolarHBondContact O-N 3.46Å; D373-G376 PolarHBondContact O-N 3.01Å; D373-G376 VanDerWaalsContact O-N 3.14Å; D373-G376 WeakPolarHBondContact OD1-CA 3.24Å; D373-G376 PolarHBondContact OD1-N 3.44Å; D373-R377 VanDerWaalsContact O-CG 3.31Å; D373-R377 WeakPolarHBondContact O-CG 3.43Å; D373-R377 PolarHBondContact O-N 3.43Å; D373-E470 HydrophobicContact CB-CB 4.44Å
374	A	86.1	Confident	91.3	Very high	31 Å²	31	37.3 Å²	37.3	26%	0.256	19%	0.192	S	C	.	.	H	α-helix	trans	-56.1	-44.6	-177.3	0	0	0	0	0	112.6	R377 L378	A374-R377 PolarHBondContact O-N 2.86Å; A374-L378 PolarHBondContact O-N 3.43Å
375	T	89.9	Confident	91.5	Very high	86 Å²	86	35.6 Å²	35.6	53%	0.528	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-45.1	175.7	-49.9	0	0	0	0	111.5	D373 R377 L378 E379	D373-T375 VanDerWaalsContact C-N 3.31Å; D373-T375 PolarHBondContact O-N 3.46Å; T375-R377 VanDerWaalsContact C-N 3.34Å; T375-R377 PolarHBondContact O-N 3.29Å; T375-L378 WeakPolarHBondContact O-CB 3.4Å; T375-L378 PolarHBondContact O-N 2.83Å; T375-E379 WeakPolarHBondContact O-CG 3.47Å; T375-E379 PolarHBondContact O-N 3.4Å
376	G	91.7	Very high	91.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-36	178	0	0	0	0	0	113.3	D373 E379 I380	D373-G376 PolarHBondContact O-N 3.01Å; D373-G376 VanDerWaalsContact O-N 3.14Å; D373-G376 WeakPolarHBondContact OD1-CA 3.24Å; D373-G376 PolarHBondContact OD1-N 3.44Å; G376-E379 PolarHBondContact O-N 3.1Å; G376-I380 WeakPolarHBondContact O-CD1 3.31Å; G376-I380 VanDerWaalsContact O-CG1 3.24Å; G376-I380 WeakPolarHBondContact O-CG1 3.47Å; G376-I380 PolarHBondContact O-N 3.2Å
377	R	93.9	Very high	91.3	Very high	6 Å²	6	31.1 Å²	31.1	2%	0.023	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-40.3	173.7	-67.9	-165.4	-61.5	-83.6	2.3	111.5	P372 D373 A374 T375 I380 L381 A400 T403 L411	P372-R377 HydrophobicContact CB-CG 3.94Å; P372-R377 HydrophobicContact CG-CG 3.76Å; P372-R377 PolarHBondContact O-NH1 3.4Å; D373-R377 VanDerWaalsContact O-CG 3.31Å; D373-R377 WeakPolarHBondContact O-CG 3.43Å; D373-R377 PolarHBondContact O-N 3.43Å; A374-R377 PolarHBondContact O-N 2.86Å; T375-R377 VanDerWaalsContact C-N 3.34Å; T375-R377 PolarHBondContact O-N 3.29Å; R377-I380 PolarHBondContact O-N 3.25Å; R377-L381 WeakPolarHBondContact O-CB 3.4Å; R377-L381 VanDerWaalsContact O-CG 3.27Å; R377-L381 WeakPolarHBondContact O-CG 3.27Å; R377-L381 PolarHBondContact O-N 3.33Å; R377-A400 HydrophobicContact CB-CB 4.14Å; R377-A400 VanDerWaalsContact CZ-O 3.28Å; R377-A400 PolarHBondContact NE-O 3.3Å; R377-A400 PolarHBondContact NH2-O 3.44Å; R377-T403 WeakPolarHBondContact CD-O 3.29Å; R377-T403 PolarHBondContact NE-O 2.93Å; R377-T403 VanDerWaalsContact NE-O 3.1Å; R377-T403 PolarHBondContact NE-OG1 3.03Å; R377-L411 HydrophobicContact CB-CD1 3.74Å; R377-L411 HydrophobicContact CG-CD1 3.76Å
378	L	95.4	Very high	91.3	Very high	37 Å²	37	32.7 Å²	32.7	19%	0.194	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-46.4	173	176.4	60.3	0	0	0	111.5	A374 T375 I380 L381 Q382 L396 E397 A400	A374-L378 PolarHBondContact O-N 3.43Å; T375-L378 WeakPolarHBondContact O-CB 3.4Å; T375-L378 PolarHBondContact O-N 2.83Å; L378-I380 VanDerWaalsContact C-N 3.33Å; L378-I380 PolarHBondContact O-N 2.97Å; L378-L381 PolarHBondContact O-N 3.01Å; L378-Q382 HydrophobicContact CD1-CG 4.29Å; L378-Q382 VanDerWaalsContact O-CG 3.31Å; L378-Q382 WeakPolarHBondContact O-CG 3.49Å; L378-Q382 PolarHBondContact O-N 3.15Å; L378-L396 HydrophobicContact CD1-CB 3.71Å; L378-E397 HydrophobicContact CD1-CB 4.5Å; L378-A400 HydrophobicContact CB-CB 3.88Å
379	E	94.4	Very high	91.3	Very high	28 Å²	28	35.2 Å²	35.2	13%	0.131	19%	0.185	C	C	.	.	H	α-helix	trans	-58.2	-44.6	176	-69.9	176.9	-176.1	0	0	111.9	G208 R210 T375 G376 Q382 I383	G208-E379 PolarHBondContact N-OE2 3.47Å; R210-E379 IonicContact CZ-OE1 3.57Å; R210-E379 IonicContact NE-OE1 3.92Å; R210-E379 PolarHBondContact NE-OE1 2.93Å; R210-E379 IonicContact NE-OE2 2.66Å; R210-E379 IonicContact NH2-OE1 2.7Å; R210-E379 PolarHBondContact NH2-OE1 3.45Å; T375-E379 WeakPolarHBondContact O-CG 3.47Å; T375-E379 PolarHBondContact O-N 3.4Å; G376-E379 PolarHBondContact O-N 3.1Å; E379-Q382 PolarHBondContact O-N 2.86Å; E379-I383 WeakPolarHBondContact O-CD1 3.43Å; E379-I383 VanDerWaalsContact O-CG1 3.28Å; E379-I383 WeakPolarHBondContact O-CG1 3.29Å; E379-I383 PolarHBondContact O-N 3.24Å
380	I	95.8	Very high	91.4	Very high	13 Å²	13	37.8 Å²	37.8	7%	0.067	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-42.5	178.3	-67.2	163	0	0	0	111.2	P372 G376 R377 L378 I383 H384 L411	P372-I380 HydrophobicContact CB-CD1 3.86Å; P372-I380 HydrophobicContact CG-CD1 3.78Å; G376-I380 WeakPolarHBondContact O-CD1 3.31Å; G376-I380 VanDerWaalsContact O-CG1 3.24Å; G376-I380 WeakPolarHBondContact O-CG1 3.47Å; G376-I380 PolarHBondContact O-N 3.2Å; R377-I380 PolarHBondContact O-N 3.25Å; L378-I380 VanDerWaalsContact C-N 3.33Å; L378-I380 PolarHBondContact O-N 2.97Å; I380-I383 PolarHBondContact O-N 2.76Å; I380-H384 PolarHBondContact O-CD2 2.87Å; I380-H384 VanDerWaalsContact O-CD2 3.28Å; I380-H384 PolarHBondContact O-N 3.33Å; I380-L411 HydrophobicContact CB-CD1 3.83Å; I380-L411 HydrophobicContact CD1-CD1 4.14Å; I380-L411 HydrophobicContact CG2-CB 3.76Å; I380-L411 HydrophobicContact CG2-CD1 3.7Å; I380-L411 HydrophobicContact CG2-CG 4.39Å
381	L	96.5	Very high	91.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-43.6	176.2	-72.5	167.2	0	0	0	111.2	R377 L378 I383 H384 T385 V399 A400 L411 L414	R377-L381 WeakPolarHBondContact O-CB 3.4Å; R377-L381 VanDerWaalsContact O-CG 3.27Å; R377-L381 WeakPolarHBondContact O-CG 3.27Å; R377-L381 PolarHBondContact O-N 3.33Å; L378-L381 PolarHBondContact O-N 3.01Å; L381-I383 VanDerWaalsContact C-N 3.33Å; L381-I383 PolarHBondContact O-N 3.4Å; L381-H384 PolarHBondContact O-N 2.83Å; L381-T385 WeakPolarHBondContact O-CB 3.35Å; L381-T385 VanDerWaalsContact O-CG2 3.3Å; L381-T385 WeakPolarHBondContact O-CG2 3.49Å; L381-T385 PolarHBondContact O-N 3.29Å; L381-T385 PolarHBondContact O-OG1 3.24Å; L381-V399 HydrophobicContact CD1-CB 3.93Å; L381-V399 HydrophobicContact CD1-CG1 3.77Å; L381-V399 HydrophobicContact CD2-CG1 4.1Å; L381-A400 HydrophobicContact CD1-CB 3.98Å; L381-L411 HydrophobicContact CD2-CB 4.45Å; L381-L411 HydrophobicContact CD2-CD2 4.19Å; L381-L411 HydrophobicContact CG-CD2 4.42Å; L381-L414 HydrophobicContact CD2-CD2 4.4Å
382	Q	94.9	Very high	92.1	Very high	103 Å²	103	45.7 Å²	45.7	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-44	175.1	-72.3	170.5	-19.5	0	0	111.3	L378 E379 H384 T385 K386 L396	L378-Q382 HydrophobicContact CD1-CG 4.29Å; L378-Q382 VanDerWaalsContact O-CG 3.31Å; L378-Q382 WeakPolarHBondContact O-CG 3.49Å; L378-Q382 PolarHBondContact O-N 3.15Å; E379-Q382 PolarHBondContact O-N 2.86Å; Q382-H384 PolarHBondContact O-N 3.45Å; Q382-T385 PolarHBondContact O-N 3.35Å; Q382-T385 PolarHBondContact O-OG1 2.83Å; Q382-K386 PolarHBondContact O-N 3.14Å; Q382-L396 HydrophobicContact CG-CD1 4.07Å
383	I	93.1	Very high	92.4	Very high	27 Å²	27	49.3 Å²	49.3	14%	0.138	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-45.1	178	-68.8	161.3	0	0	0	111.5	G207 E379 I380 L381 T385 K386	G207-I383 VanDerWaalsContact N-CD1 3.3Å; E379-I383 WeakPolarHBondContact O-CD1 3.43Å; E379-I383 VanDerWaalsContact O-CG1 3.28Å; E379-I383 WeakPolarHBondContact O-CG1 3.29Å; E379-I383 PolarHBondContact O-N 3.24Å; I380-I383 PolarHBondContact O-N 2.76Å; L381-I383 VanDerWaalsContact C-N 3.33Å; L381-I383 PolarHBondContact O-N 3.4Å; I383-T385 VanDerWaalsContact C-N 3.35Å; I383-K386 VanDerWaalsContact O-CD 3.24Å; I383-K386 WeakPolarHBondContact O-CD 3.21Å; I383-K386 WeakPolarHBondContact O-CE 3.35Å; I383-K386 WeakPolarHBondContact O-CG 3.34Å
384	H	93.9	Very high	92.9	Very high	77 Å²	77	47.9 Å²	47.9	36%	0.356	25%	0.253	S	S	.	.	H	α-helix	trans	-77.4	-19.9	-178.3	-75.2	-64.5	0	0	0	113.8	I380 L381 Q382 M388 A412 C415	I380-H384 PolarHBondContact O-CD2 2.87Å; I380-H384 VanDerWaalsContact O-CD2 3.28Å; I380-H384 PolarHBondContact O-N 3.33Å; L381-H384 PolarHBondContact O-N 2.83Å; Q382-H384 PolarHBondContact O-N 3.45Å; H384-M388 WeakPolarHBondContact O-CE 3.36Å; H384-A412 VanDerWaalsContact CE1-CB 3.49Å; H384-A412 WeakPolarHBondContact CE1-CB 3.11Å; H384-A412 WeakPolarHBondContact NE2-CB 3.26Å; H384-C415 HydrophobicContact CB-CB 4.01Å
385	T	93.6	Very high	93.4	Very high	6 Å²	6	50 Å²	50	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-95.2	-7.2	177	56	0	0	0	0	113.7	L381 Q382 I383 N387 M388 L390 L396 F452	L381-T385 WeakPolarHBondContact O-CB 3.35Å; L381-T385 VanDerWaalsContact O-CG2 3.3Å; L381-T385 WeakPolarHBondContact O-CG2 3.49Å; L381-T385 PolarHBondContact O-N 3.29Å; L381-T385 PolarHBondContact O-OG1 3.24Å; Q382-T385 PolarHBondContact O-N 3.35Å; Q382-T385 PolarHBondContact O-OG1 2.83Å; I383-T385 VanDerWaalsContact C-N 3.35Å; T385-N387 PolarHBondContact O-N 3.35Å; T385-M388 HydrophobicContact CG2-SD 4.18Å; T385-M388 WeakPolarHBondContact O-CA 3.26Å; T385-M388 WeakPolarHBondContact O-CB 3.43Å; T385-M388 PolarHBondContact O-N 2.84Å; T385-L390 HydrophobicContact CG2-CD1 4.39Å; T385-L390 HydrophobicContact CG2-CD2 4.1Å; T385-L396 HydrophobicContact CG2-CD2 4.19Å; T385-F452 HydrophobicContact CG2-CZ 3.84Å
386	K	90	Very high	93.7	Very high	52 Å²	52	46.9 Å²	46.9	23%	0.226	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.7	-177.6	75.9	-169.6	171.3	178.9	0	115.9	R155 D205 Q382 I383	R155-K386 WeakPolarHBondContact CD-O 3.38Å; D205-K386 IonicContact OD1-NZ 3.29Å; D205-K386 PolarHBondContact OD1-NZ 2.89Å; Q382-K386 PolarHBondContact O-N 3.14Å; I383-K386 VanDerWaalsContact O-CD 3.24Å; I383-K386 WeakPolarHBondContact O-CD 3.21Å; I383-K386 WeakPolarHBondContact O-CE 3.35Å; I383-K386 WeakPolarHBondContact O-CG 3.34Å
387	N	88.2	Confident	93.9	Very high	49 Å²	49	52.4 Å²	52.4	26%	0.262	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-15.1	176.8	-65.7	-22.6	0	0	0	112.4	R155 M158 T385	R155-N387 WeakPolarHBondContact CD-OD1 3.25Å; R155-N387 WeakPolarHBondContact CG-OD1 3.43Å; M158-N387 WeakPolarHBondContact CA-O 2.99Å; M158-N387 PolarHBondContact N-O 3.29Å; T385-N387 PolarHBondContact O-N 3.35Å
388	M	89.9	Confident	93.8	Very high	35 Å²	35	55.5 Å²	55.5	17%	0.172	28%	0.28	C	S	.	.	S	Bend	trans	-86.3	145.4	-176.9	-56.2	-178.9	-178.1	0	0	110.3	M158 H384 T385 L390 C415 A419	M158-M388 HydrophobicContact CG-CG 4.49Å; H384-M388 WeakPolarHBondContact O-CE 3.36Å; T385-M388 HydrophobicContact CG2-SD 4.18Å; T385-M388 WeakPolarHBondContact O-CA 3.26Å; T385-M388 WeakPolarHBondContact O-CB 3.43Å; T385-M388 PolarHBondContact O-N 2.84Å; M388-L390 HydrophobicContact CB-CD2 4.31Å; M388-L390 PolarHBondContact O-N 3.25Å; M388-C415 HydrophobicContact CE-CB 3.99Å; M388-A419 HydrophobicContact CE-CB 3.87Å; M388-A419 HydrophobicContact SD-CB 4.12Å
389	K	89.8	Confident	93.8	Very high	90 Å²	90	53.7 Å²	53.7	39%	0.391	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	106	166.3	-176.3	173.1	179.9	168.4	0	108.4	N443 A446 V447	K389-N443 WeakPolarHBondContact CD-O 3.27Å; K389-N443 PolarHBondContact NZ-O 3.1Å; K389-A446 HydrophobicContact CD-CB 4.5Å; K389-A446 HydrophobicContact CG-CB 4.32Å; K389-A446 CarbonylContact O-C 3.56Å; K389-A446 VanDerWaalsContact O-CA 3.3Å; K389-A446 WeakPolarHBondContact O-CA 3.45Å; K389-V447 PolarHBondContact O-N 3.32Å
390	L	93.6	Very high	93.7	Very high	54 Å²	54	52.4 Å²	52.4	28%	0.283	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	143	173.8	-58.3	-177.8	0	0	0	109.8	T385 M388 V394 L396 V447 F452	T385-L390 HydrophobicContact CG2-CD1 4.39Å; T385-L390 HydrophobicContact CG2-CD2 4.1Å; M388-L390 HydrophobicContact CB-CD2 4.31Å; M388-L390 PolarHBondContact O-N 3.25Å; L390-V394 HydrophobicContact CB-CB 4.3Å; L390-V394 HydrophobicContact CB-CG2 4.31Å; L390-V394 HydrophobicContact CD1-CG1 4.17Å; L390-V394 HydrophobicContact CD2-CG1 4.35Å; L390-L396 HydrophobicContact CD1-CD1 4.03Å; L390-L396 HydrophobicContact CD1-CD2 4.26Å; L390-L396 HydrophobicContact CD1-CG 4.29Å; L390-V447 HydrophobicContact CD2-CB 4.35Å; L390-F452 HydrophobicContact CD2-CE2 4.06Å; L390-F452 HydrophobicContact CD2-CZ 4.36Å
391	A	94.5	Very high	93.3	Very high	24 Å²	24	56 Å²	56	20%	0.198	28%	0.284	C	S	.	.			trans	-78.8	160.3	169.2	0	0	0	0	0	111.1	D393 V394 A446 V447 T448	A391-D393 WeakPolarHBondContact CB-OD1 3.37Å; A391-D393 PolarHBondContact O-N 3.38Å; A391-D393 VanDerWaalsContact O-N 3.16Å; A391-V394 HydrophobicContact CB-CG2 4.44Å; A391-V394 WeakPolarHBondContact O-CB 3.38Å; A391-V394 WeakPolarHBondContact O-CG2 3.44Å; A391-V394 PolarHBondContact O-N 3.22Å; A391-V394 VanDerWaalsContact O-N 3.12Å; A391-A446 HydrophobicContact CB-CB 4.38Å; A391-V447 WeakPolarHBondContact CB-O 3.34Å; A391-V447 PolarHBondContact N-O 3.07Å; A391-T448 HydrophobicContact CB-CG2 4.19Å
392	D	93.8	Very high	92.8	Very high	179 Å²	179	61 Å²	61	96%	0.957	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.6	-174.1	-59.9	-32.6	0	0	0	113.5	V394	D392-V394 VanDerWaalsContact C-N 3.34Å
393	D	95.3	Very high	92.5	Very high	84 Å²	84	56.1 Å²	56.1	45%	0.449	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.4	177.9	68.3	-40.8	0	0	0	113.6	A391 D395 M449	A391-D393 WeakPolarHBondContact CB-OD1 3.37Å; A391-D393 PolarHBondContact O-N 3.38Å; A391-D393 VanDerWaalsContact O-N 3.16Å; D393-D395 PolarHBondContact O-N 3.1Å; D393-M449 HydrophobicContact CB-CB 4.44Å; D393-M449 WeakPolarHBondContact O-CB 3.43Å; D393-M449 VanDerWaalsContact OD2-CB 3.27Å; D393-M449 WeakPolarHBondContact OD2-CB 3.29Å; D393-M449 PolarHBondContact OD2-N 3.41Å
394	V	97.1	Very high	92	Very high	24 Å²	24	58.7 Å²	58.7	15%	0.145	30%	0.296	C	S	.	.			trans	-75.7	114.6	-175.5	179	0	0	0	0	111	L390 A391 D392 L396 V447 F452	L390-V394 HydrophobicContact CB-CB 4.3Å; L390-V394 HydrophobicContact CB-CG2 4.31Å; L390-V394 HydrophobicContact CD1-CG1 4.17Å; L390-V394 HydrophobicContact CD2-CG1 4.35Å; A391-V394 HydrophobicContact CB-CG2 4.44Å; A391-V394 WeakPolarHBondContact O-CB 3.38Å; A391-V394 WeakPolarHBondContact O-CG2 3.44Å; A391-V394 PolarHBondContact O-N 3.22Å; A391-V394 VanDerWaalsContact O-N 3.12Å; D392-V394 VanDerWaalsContact C-N 3.34Å; V394-L396 HydrophobicContact CG1-CD2 3.79Å; V394-L396 HydrophobicContact CG1-CG 4.27Å; V394-V447 WeakPolarHBondContact CG2-O 3.37Å; V394-F452 HydrophobicContact CG1-CD2 4.14Å; V394-F452 HydrophobicContact CG1-CE2 3.96Å
395	D	96.2	Very high	91.3	Very high	74 Å²	74	55 Å²	55	40%	0.396	28%	0.279	S	S	.	.			trans	-106.2	99.1	171.1	-174.9	-9.5	0	0	0	110.7	D393 E397 Q398 V399	D393-D395 PolarHBondContact O-N 3.1Å; D395-E397 VanDerWaalsContact C-N 3.26Å; D395-E397 PolarHBondContact O-N 3.15Å; D395-E397 WeakPolarHBondContact OD1-CA 3.41Å; D395-E397 VanDerWaalsContact OD1-CB 3.3Å; D395-E397 WeakPolarHBondContact OD1-CB 3.34Å; D395-E397 PolarHBondContact OD1-N 3.39Å; D395-Q398 HydrophobicContact CB-CB 3.93Å; D395-Q398 WeakPolarHBondContact O-CB 3.38Å; D395-Q398 PolarHBondContact O-N 3.26Å; D395-Q398 PolarHBondContact OD1-N 3.48Å; D395-V399 PolarHBondContact O-N 3.48Å
396	L	96.6	Very high	91.1	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.11	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-25.9	177.3	-61.6	-177.8	0	0	0	112.9	L378 Q382 T385 L390 V394 V399 A400 F452	L378-L396 HydrophobicContact CD1-CB 3.71Å; Q382-L396 HydrophobicContact CG-CD1 4.07Å; T385-L396 HydrophobicContact CG2-CD2 4.19Å; L390-L396 HydrophobicContact CD1-CD1 4.03Å; L390-L396 HydrophobicContact CD1-CD2 4.26Å; L390-L396 HydrophobicContact CD1-CG 4.29Å; V394-L396 HydrophobicContact CG1-CD2 3.79Å; V394-L396 HydrophobicContact CG1-CG 4.27Å; L396-V399 PolarHBondContact O-N 3.49Å; L396-A400 WeakPolarHBondContact O-CB 3.29Å; L396-A400 PolarHBondContact O-N 2.96Å; L396-F452 HydrophobicContact CD2-CE1 4.47Å; L396-F452 HydrophobicContact CD2-CZ 4.19Å
397	E	95.1	Very high	91.2	Very high	117 Å²	117	52.8 Å²	52.8	55%	0.547	27%	0.269	S	S	.	.	H	α-helix	trans	-70.4	-39.4	176.8	-170.6	178.7	168.7	0	0	110.1	L378 D395 A400 N401	L378-E397 HydrophobicContact CD1-CB 4.5Å; D395-E397 VanDerWaalsContact C-N 3.26Å; D395-E397 PolarHBondContact O-N 3.15Å; D395-E397 WeakPolarHBondContact OD1-CA 3.41Å; D395-E397 VanDerWaalsContact OD1-CB 3.3Å; D395-E397 WeakPolarHBondContact OD1-CB 3.34Å; D395-E397 PolarHBondContact OD1-N 3.39Å; E397-A400 PolarHBondContact O-N 2.91Å; E397-N401 PolarHBondContact O-N 3.21Å; E397-N401 PolarHBondContact O-ND2 3.06Å
398	Q	91.9	Very high	91.4	Very high	71 Å²	71	51.1 Å²	51.1	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-58.1	-49.1	170.3	-176.9	177.9	0.1	0	0	111.3	D395 A400 N401 E402 M449	D395-Q398 HydrophobicContact CB-CB 3.93Å; D395-Q398 WeakPolarHBondContact O-CB 3.38Å; D395-Q398 PolarHBondContact O-N 3.26Å; D395-Q398 PolarHBondContact OD1-N 3.48Å; Q398-A400 VanDerWaalsContact C-N 3.31Å; Q398-A400 PolarHBondContact O-N 3.14Å; Q398-N401 PolarHBondContact O-N 3.35Å; Q398-N401 VanDerWaalsContact O-N 3.14Å; Q398-E402 WeakPolarHBondContact CG-OE1 3.15Å; Q398-E402 PolarHBondContact NE2-OE1 3.02Å; Q398-E402 PolarHBondContact O-N 3.26Å; Q398-M449 HydrophobicContact CB-CE 4.13Å; Q398-M449 HydrophobicContact CG-CE 4.05Å
399	V	94.8	Very high	91.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-41.3	178.3	-179.4	0	0	0	0	111.1	L381 D395 L396 N401 E402 T403 L414 M449 F452 L456	L381-V399 HydrophobicContact CD1-CB 3.93Å; L381-V399 HydrophobicContact CD1-CG1 3.77Å; L381-V399 HydrophobicContact CD2-CG1 4.1Å; D395-V399 PolarHBondContact O-N 3.48Å; L396-V399 PolarHBondContact O-N 3.49Å; V399-N401 VanDerWaalsContact C-N 3.31Å; V399-N401 PolarHBondContact O-N 3.28Å; V399-E402 PolarHBondContact O-N 2.89Å; V399-T403 HydrophobicContact CG1-CG2 4.05Å; V399-T403 WeakPolarHBondContact O-CB 3.5Å; V399-T403 WeakPolarHBondContact O-CG2 3.46Å; V399-T403 PolarHBondContact O-N 2.99Å; V399-T403 PolarHBondContact O-OG1 3.25Å; V399-L414 HydrophobicContact CG1-CD2 3.68Å; V399-M449 HydrophobicContact CG2-CE 3.84Å; V399-M449 HydrophobicContact CG2-SD 4.15Å; V399-F452 HydrophobicContact CG1-CD1 4.3Å; V399-F452 HydrophobicContact CG2-CB 4.11Å; V399-F452 HydrophobicContact CG2-CD1 4.12Å; V399-F452 HydrophobicContact CG2-CG 4.25Å; V399-L456 HydrophobicContact CG1-CD1 4.49Å; V399-L456 HydrophobicContact CG1-CD2 4.47Å
400	A	93.3	Very high	91.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-37.8	176.7	0	0	0	0	0	112.7	R377 L378 L381 L396 E397 Q398 T403	R377-A400 HydrophobicContact CB-CB 4.14Å; R377-A400 VanDerWaalsContact CZ-O 3.28Å; R377-A400 PolarHBondContact NE-O 3.3Å; R377-A400 PolarHBondContact NH2-O 3.44Å; L378-A400 HydrophobicContact CB-CB 3.88Å; L381-A400 HydrophobicContact CD1-CB 3.98Å; L396-A400 WeakPolarHBondContact O-CB 3.29Å; L396-A400 PolarHBondContact O-N 2.96Å; E397-A400 PolarHBondContact O-N 2.91Å; Q398-A400 VanDerWaalsContact C-N 3.31Å; Q398-A400 PolarHBondContact O-N 3.14Å; A400-T403 WeakPolarHBondContact CA-OG1 3.47Å; A400-T403 PolarHBondContact O-OG1 3.04Å
401	N	87	Confident	91.8	Very high	89 Å²	89	45.9 Å²	45.9	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-71.8	-34	178.2	-74.2	-44.2	0	0	0	112.8	E397 Q398 V399	E397-N401 PolarHBondContact O-N 3.21Å; E397-N401 PolarHBondContact O-ND2 3.06Å; Q398-N401 PolarHBondContact O-N 3.35Å; Q398-N401 VanDerWaalsContact O-N 3.14Å; V399-N401 VanDerWaalsContact C-N 3.31Å; V399-N401 PolarHBondContact O-N 3.28Å
402	E	85.7	Confident	91.8	Very high	104 Å²	104	45.8 Å²	45.8	49%	0.486	25%	0.247	S	C	.	.	H	α-helix	trans	-81.2	-22.7	179.5	-68.2	179.7	-165.3	0	0	113.3	Q398 V399 H404	Q398-E402 WeakPolarHBondContact CG-OE1 3.15Å; Q398-E402 PolarHBondContact NE2-OE1 3.02Å; Q398-E402 PolarHBondContact O-N 3.26Å; V399-E402 PolarHBondContact O-N 2.89Å; E402-H404 VanDerWaalsContact C-N 3.27Å; E402-H404 PolarHBondContact O-N 2.96Å; E402-H404 VanDerWaalsContact O-N 3.07Å
403	T	89.1	Confident	91.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.			trans	-85.1	43.7	-177.2	48.3	0	0	0	0	114.2	R377 V399 A400 G405 H406 L411 L414 L456	R377-T403 WeakPolarHBondContact CD-O 3.29Å; R377-T403 PolarHBondContact NE-O 2.93Å; R377-T403 VanDerWaalsContact NE-O 3.1Å; R377-T403 PolarHBondContact NE-OG1 3.03Å; V399-T403 HydrophobicContact CG1-CG2 4.05Å; V399-T403 WeakPolarHBondContact O-CB 3.5Å; V399-T403 WeakPolarHBondContact O-CG2 3.46Å; V399-T403 PolarHBondContact O-N 2.99Å; V399-T403 PolarHBondContact O-OG1 3.25Å; A400-T403 WeakPolarHBondContact CA-OG1 3.47Å; A400-T403 PolarHBondContact O-OG1 3.04Å; T403-G405 PolarHBondContact O-N 3.44Å; T403-H406 VanDerWaalsContact C-ND1 3.32Å; T403-H406 WeakPolarHBondContact O-CB 3.49Å; T403-H406 PolarHBondContact O-N 3.16Å; T403-H406 PolarHBondContact O-ND1 3.21Å; T403-H406 VanDerWaalsContact O-ND1 3.15Å; T403-L411 HydrophobicContact CG2-CD2 3.85Å; T403-L414 HydrophobicContact CG2-CD2 3.73Å; T403-L456 HydrophobicContact CG2-CD2 3.42Å; T403-L456 VanDerWaalsContact CG2-CD2 3.42Å
404	H	82.8	Confident	91.9	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.375	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	138	178	-171.5	77.3	0	0	0	112	E402 H406 E470	E402-H404 VanDerWaalsContact C-N 3.27Å; E402-H404 PolarHBondContact O-N 2.96Å; E402-H404 VanDerWaalsContact O-N 3.07Å; H404-H406 PolarHBondContact O-N 3.04Å; H404-H406 PolarHBondContact O-ND1 3.47Å; H404-E470 IonicContact CE1-OE2 3.29Å; H404-E470 IonicContact ND1-OE2 3.43Å
405	G	79.8	Confident	91.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	7.3	-180	0	0	0	0	0	115.7	T403 A463	T403-G405 PolarHBondContact O-N 3.44Å; G405-A463 WeakPolarHBondContact O-CB 3.36Å; G405-A463 PolarHBondContact O-N 3.46Å
406	H	88.6	Confident	91.6	Very high	9 Å²	9	34.3 Å²	34.3	4%	0.042	20%	0.197	C	C	.	.			trans	-77.2	137.2	172.9	-73.2	61.2	0	0	0	110.6	P372 T403 H404 D410 L411	P372-H406 WeakPolarHBondContact CG-O 3.41Å; T403-H406 VanDerWaalsContact C-ND1 3.32Å; T403-H406 WeakPolarHBondContact O-CB 3.49Å; T403-H406 PolarHBondContact O-N 3.16Å; T403-H406 PolarHBondContact O-ND1 3.21Å; T403-H406 VanDerWaalsContact O-ND1 3.15Å; H404-H406 PolarHBondContact O-N 3.04Å; H404-H406 PolarHBondContact O-ND1 3.47Å; H406-D410 HydrophobicContact CB-CB 4Å; H406-L411 HydrophobicContact CB-CD2 3.91Å; H406-L411 HydrophobicContact CB-CG 4.12Å
407	V	92.4	Very high	91.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	21%	0.208	C	C	.	.			trans	-91.4	171.7	170.3	-58.9	0	0	0	0	111.1	T249 I371 A409 D410 L411 A463	T249-V407 HydrophobicContact CG2-CB 4.19Å; T249-V407 HydrophobicContact CG2-CG1 3.89Å; I371-V407 HydrophobicContact CG1-CG1 4.33Å; V407-A409 VanDerWaalsContact C-N 3.27Å; V407-A409 HydrophobicContact CG2-CB 4.25Å; V407-A409 PolarHBondContact O-N 2.63Å; V407-D410 HydrophobicContact CG2-CB 4.32Å; V407-D410 WeakPolarHBondContact CG2-OD2 3.28Å; V407-D410 PolarHBondContact N-OD2 3.29Å; V407-D410 WeakPolarHBondContact O-CB 3.37Å; V407-D410 PolarHBondContact O-N 3.04Å; V407-L411 PolarHBondContact O-N 2.96Å; V407-L411 VanDerWaalsContact O-N 3.08Å; V407-A463 HydrophobicContact CG1-CB 3.85Å
408	G	92.8	Very high	91.5	Very high	15 Å²	15	31.1 Å²	31.1	16%	0.155	18%	0.182	C	C	.	.	H	α-helix	trans	-55.7	-40.2	180	0	0	0	0	0	113.6	G248 D410 L411 A412	G248-G408 PolarHBondContact O-N 2.64Å; G408-D410 PolarHBondContact O-N 2.78Å; G408-L411 PolarHBondContact O-N 3.42Å; G408-A412 WeakPolarHBondContact O-CB 3.47Å; G408-A412 PolarHBondContact O-N 3.42Å
409	A	92.7	Very high	91.5	Very high	49 Å²	49	28.1 Å²	28.1	41%	0.405	17%	0.169	S	C	.	.	H	α-helix	trans	-64.5	-36.4	174.7	0	0	0	0	0	113.5	G248 V407 A412 A413	G248-A409 PolarHBondContact O-N 2.87Å; V407-A409 VanDerWaalsContact C-N 3.27Å; V407-A409 HydrophobicContact CG2-CB 4.25Å; V407-A409 PolarHBondContact O-N 2.63Å; A409-A412 PolarHBondContact O-N 3.45Å; A409-A413 WeakPolarHBondContact O-CB 3.43Å; A409-A413 PolarHBondContact O-N 3.08Å
410	D	93.9	Very high	91.3	Very high	20 Å²	20	31.7 Å²	31.7	11%	0.107	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-41	177.2	-60.9	-27	0	0	0	110.4	H406 V407 G408 A413 L414 S462	H406-D410 HydrophobicContact CB-CB 4Å; V407-D410 HydrophobicContact CG2-CB 4.32Å; V407-D410 WeakPolarHBondContact CG2-OD2 3.28Å; V407-D410 PolarHBondContact N-OD2 3.29Å; V407-D410 WeakPolarHBondContact O-CB 3.37Å; V407-D410 PolarHBondContact O-N 3.04Å; G408-D410 PolarHBondContact O-N 2.78Å; D410-A413 PolarHBondContact O-N 3.48Å; D410-L414 WeakPolarHBondContact O-CB 3.33Å; D410-L414 PolarHBondContact O-N 2.86Å; D410-S462 WeakPolarHBondContact OD1-CB 3.47Å; D410-S462 PolarHBondContact OD1-OG 2.98Å; D410-S462 WeakPolarHBondContact OD2-CB 3.45Å; D410-S462 PolarHBondContact OD2-N 2.88Å; D410-S462 PolarHBondContact OD2-OG 3.48Å
411	L	95.6	Very high	91.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.4	-38.4	177	-64.4	176.7	0	0	0	112.2	R377 I380 L381 T403 H406 V407 G408 A413 L414 C415	R377-L411 HydrophobicContact CB-CD1 3.74Å; R377-L411 HydrophobicContact CG-CD1 3.76Å; I380-L411 HydrophobicContact CB-CD1 3.83Å; I380-L411 HydrophobicContact CD1-CD1 4.14Å; I380-L411 HydrophobicContact CG2-CB 3.76Å; I380-L411 HydrophobicContact CG2-CD1 3.7Å; I380-L411 HydrophobicContact CG2-CG 4.39Å; L381-L411 HydrophobicContact CD2-CB 4.45Å; L381-L411 HydrophobicContact CD2-CD2 4.19Å; L381-L411 HydrophobicContact CG-CD2 4.42Å; T403-L411 HydrophobicContact CG2-CD2 3.85Å; H406-L411 HydrophobicContact CB-CD2 3.91Å; H406-L411 HydrophobicContact CB-CG 4.12Å; V407-L411 PolarHBondContact O-N 2.96Å; V407-L411 VanDerWaalsContact O-N 3.08Å; G408-L411 PolarHBondContact O-N 3.42Å; L411-A413 VanDerWaalsContact C-N 3.31Å; L411-A413 PolarHBondContact O-N 3.47Å; L411-L414 HydrophobicContact CD2-CD2 4.34Å; L411-L414 WeakPolarHBondContact O-CB 3.29Å; L411-L414 PolarHBondContact O-N 3.02Å; L411-C415 PolarHBondContact O-N 3.45Å; L411-C415 PolarHBondContact O-SG 2.92Å; L411-C415 VanDerWaalsContact O-SG 3.4Å
412	A	94.3	Very high	91.4	Very high	21 Å²	21	29 Å²	29	17%	0.174	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-44	172.6	0	0	0	0	0	111.3	H384 G408 A409 S416	H384-A412 VanDerWaalsContact CE1-CB 3.49Å; H384-A412 WeakPolarHBondContact CE1-CB 3.11Å; H384-A412 WeakPolarHBondContact NE2-CB 3.26Å; G408-A412 WeakPolarHBondContact O-CB 3.47Å; G408-A412 PolarHBondContact O-N 3.42Å; A409-A412 PolarHBondContact O-N 3.45Å; A412-S416 WeakPolarHBondContact O-CB 3.49Å; A412-S416 PolarHBondContact O-N 2.97Å; A412-S416 PolarHBondContact O-OG 3.39Å
413	A	94.3	Very high	91.5	Very high	53 Å²	53	26.2 Å²	26.2	44%	0.438	16%	0.16	S	C	.	.	H	α-helix	trans	-65.2	-41.4	175.4	0	0	0	0	0	111.6	A409 D410 L411 C415 S416 E417	A409-A413 WeakPolarHBondContact O-CB 3.43Å; A409-A413 PolarHBondContact O-N 3.08Å; D410-A413 PolarHBondContact O-N 3.48Å; L411-A413 VanDerWaalsContact C-N 3.31Å; L411-A413 PolarHBondContact O-N 3.47Å; A413-C415 PolarHBondContact O-N 2.6Å; A413-S416 WeakPolarHBondContact O-CB 3.33Å; A413-S416 PolarHBondContact O-N 3.39Å; A413-S416 VanDerWaalsContact O-N 3.16Å; A413-E417 PolarHBondContact O-N 3.17Å
414	L	95.4	Very high	91.3	Very high	3 Å²	3	32 Å²	32	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-57.6	-49.7	175.8	-177.9	75	0	0	0	111.7	L381 V399 T403 D410 L411 S416 E417 A418 A455 L456	L381-L414 HydrophobicContact CD2-CD2 4.4Å; V399-L414 HydrophobicContact CG1-CD2 3.68Å; T403-L414 HydrophobicContact CG2-CD2 3.73Å; D410-L414 WeakPolarHBondContact O-CB 3.33Å; D410-L414 PolarHBondContact O-N 2.86Å; L411-L414 HydrophobicContact CD2-CD2 4.34Å; L411-L414 WeakPolarHBondContact O-CB 3.29Å; L411-L414 PolarHBondContact O-N 3.02Å; L414-S416 VanDerWaalsContact C-N 3.29Å; L414-S416 PolarHBondContact O-N 3.34Å; L414-E417 PolarHBondContact O-N 3.45Å; L414-A418 WeakPolarHBondContact O-CB 3.28Å; L414-A418 PolarHBondContact O-N 3Å; L414-A455 VanDerWaalsContact CD1-C 3.48Å; L414-A455 HydrophobicContact CD1-CB 3.63Å; L414-A455 HydrophobicContact CG-CB 4.38Å; L414-L456 HydrophobicContact CD1-CD2 3.84Å; L414-L456 HydrophobicContact CD1-CG 4Å; L414-L456 HydrophobicContact CD2-CD2 3.82Å; L414-L456 HydrophobicContact CD2-CG 4.43Å
415	C	95.6	Very high	91.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-39	176.1	-67.7	0	0	0	0	111.6	H384 M388 L411 A413 A418 A419	H384-C415 HydrophobicContact CB-CB 4.01Å; M388-C415 HydrophobicContact CE-CB 3.99Å; L411-C415 PolarHBondContact O-N 3.45Å; L411-C415 PolarHBondContact O-SG 2.92Å; L411-C415 VanDerWaalsContact O-SG 3.4Å; A413-C415 PolarHBondContact O-N 2.6Å; C415-A418 PolarHBondContact O-N 3.24Å; C415-A419 WeakPolarHBondContact O-CB 3.18Å; C415-A419 PolarHBondContact O-N 2.81Å
416	S	93.1	Very high	91.2	Very high	63 Å²	63	36.9 Å²	36.9	44%	0.441	20%	0.202	S	C	.	.	H	α-helix	trans	-65	-43.5	177.9	-57.8	0	0	0	0	111.7	A412 A413 L414 A419 L420	A412-S416 WeakPolarHBondContact O-CB 3.49Å; A412-S416 PolarHBondContact O-N 2.97Å; A412-S416 PolarHBondContact O-OG 3.39Å; A413-S416 WeakPolarHBondContact O-CB 3.33Å; A413-S416 PolarHBondContact O-N 3.39Å; A413-S416 VanDerWaalsContact O-N 3.16Å; L414-S416 VanDerWaalsContact C-N 3.29Å; L414-S416 PolarHBondContact O-N 3.34Å; S416-A419 PolarHBondContact O-N 3.49Å; S416-L420 WeakPolarHBondContact O-CB 3.34Å; S416-L420 VanDerWaalsContact O-CG 3.28Å; S416-L420 WeakPolarHBondContact O-CG 3.33Å; S416-L420 PolarHBondContact O-N 3Å
417	E	93.6	Very high	90.3	Very high	72 Å²	72	40.3 Å²	40.3	34%	0.336	22%	0.219	S	C	.	.	H	α-helix	trans	-67.1	-38.3	175.9	-74.1	-60.4	145.8	0	0	112.2	A413 L414 L420 Q421 W454 A455	A413-E417 PolarHBondContact O-N 3.17Å; L414-E417 PolarHBondContact O-N 3.45Å; E417-L420 PolarHBondContact O-N 2.99Å; E417-Q421 VanDerWaalsContact O-CB 3.29Å; E417-Q421 WeakPolarHBondContact O-CB 3.47Å; E417-Q421 PolarHBondContact O-N 3.33Å; E417-W454 HydrophobicContact CB-CZ3 4.41Å; E417-A455 HydrophobicContact CB-CB 4.03Å
418	A	94.8	Very high	89.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-44.5	173.6	0	0	0	0	0	111.4	L414 C415 Q421 A422 V447 D451 F452 A455	L414-A418 WeakPolarHBondContact O-CB 3.28Å; L414-A418 PolarHBondContact O-N 3Å; C415-A418 PolarHBondContact O-N 3.24Å; A418-Q421 PolarHBondContact O-N 3.44Å; A418-A422 PolarHBondContact O-N 3.44Å; A418-V447 HydrophobicContact CB-CG1 4.24Å; A418-D451 HydrophobicContact CB-CB 4.35Å; A418-F452 HydrophobicContact CB-CD1 4.02Å; A418-F452 HydrophobicContact CB-CD2 4.24Å; A418-F452 HydrophobicContact CB-CE1 4.11Å; A418-F452 HydrophobicContact CB-CE2 4.31Å; A418-F452 HydrophobicContact CB-CG 4.09Å; A418-F452 HydrophobicContact CB-CZ 4.25Å; A418-A455 HydrophobicContact CB-CB 4.09Å
419	A	92	Very high	87.9	Confident	8 Å²	8	53.1 Å²	53.1	7%	0.066	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-44.9	175.3	0	0	0	0	0	112.2	M158 M388 C415 S416 Q421 A422 I423	M158-A419 HydrophobicContact CE-CB 4Å; M158-A419 HydrophobicContact SD-CB 4.23Å; M388-A419 HydrophobicContact CE-CB 3.87Å; M388-A419 HydrophobicContact SD-CB 4.12Å; C415-A419 WeakPolarHBondContact O-CB 3.18Å; C415-A419 PolarHBondContact O-N 2.81Å; S416-A419 PolarHBondContact O-N 3.49Å; A419-Q421 VanDerWaalsContact C-N 3.28Å; A419-Q421 PolarHBondContact O-N 2.91Å; A419-A422 PolarHBondContact O-N 3.23Å; A419-I423 VanDerWaalsContact O-CG1 3.3Å; A419-I423 WeakPolarHBondContact O-CG1 3.35Å; A419-I423 PolarHBondContact O-N 2.95Å
420	L	90.1	Very high	86.7	Confident	74 Å²	74	52 Å²	52	39%	0.387	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-36.2	175.9	-74.8	172.8	0	0	0	112	S416 E417 I423 R424	S416-L420 WeakPolarHBondContact O-CB 3.34Å; S416-L420 VanDerWaalsContact O-CG 3.28Å; S416-L420 WeakPolarHBondContact O-CG 3.33Å; S416-L420 PolarHBondContact O-N 3Å; E417-L420 PolarHBondContact O-N 2.99Å; L420-I423 PolarHBondContact O-N 3.4Å; L420-R424 WeakPolarHBondContact O-CB 3.47Å; L420-R424 VanDerWaalsContact O-CG 3.31Å; L420-R424 WeakPolarHBondContact O-CG 3.36Å; L420-R424 PolarHBondContact O-N 2.96Å
421	Q	92.8	Very high	85.4	Confident	31 Å²	31	55.7 Å²	55.7	15%	0.145	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-42.5	176.3	-175.9	62.9	-0.3	0	0	111.8	E417 A418 A419 I423 R424 K425 D451 W454	E417-Q421 VanDerWaalsContact O-CB 3.29Å; E417-Q421 WeakPolarHBondContact O-CB 3.47Å; E417-Q421 PolarHBondContact O-N 3.33Å; A418-Q421 PolarHBondContact O-N 3.44Å; A419-Q421 VanDerWaalsContact C-N 3.28Å; A419-Q421 PolarHBondContact O-N 2.91Å; Q421-I423 VanDerWaalsContact C-N 3.3Å; Q421-I423 PolarHBondContact O-N 3.25Å; Q421-R424 PolarHBondContact O-N 3.22Å; Q421-K425 WeakPolarHBondContact O-CG 3.5Å; Q421-K425 PolarHBondContact O-N 3.06Å; Q421-K425 VanDerWaalsContact O-N 3.09Å; Q421-D451 HydrophobicContact CB-CB 4.44Å; Q421-D451 HydrophobicContact CG-CB 4.48Å; Q421-W454 HydrophobicContact CB-CD2 4.35Å; Q421-W454 HydrophobicContact CB-CE3 3.66Å; Q421-W454 HydrophobicContact CB-CZ3 3.97Å; Q421-W454 HydrophobicContact CG-CB 4.39Å; Q421-W454 HydrophobicContact CG-CD2 3.8Å; Q421-W454 HydrophobicContact CG-CE3 3.63Å; Q421-W454 HydrophobicContact CG-CG 4.12Å; Q421-W454 HydrophobicContact CG-CZ3 4.27Å
422	A	90.6	Very high	84.2	Confident	4 Å²	4	62.2 Å²	62.2	3%	0.033	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-40.2	173.2	0	0	0	0	0	111.7	A418 A419 K426 V447	A418-A422 PolarHBondContact O-N 3.44Å; A419-A422 PolarHBondContact O-N 3.23Å; A422-K426 PolarHBondContact O-N 3.29Å; A422-V447 HydrophobicContact CB-CB 4.41Å; A422-V447 HydrophobicContact CB-CG1 4.44Å; A422-V447 HydrophobicContact CB-CG2 4.04Å
423	I	86.6	Confident	82.9	Confident	44 Å²	44	69.6 Å²	69.6	23%	0.226	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-49.5	174.5	-68	164.3	0	0	0	110.5	M158 A419 L420 Q421 K425 K426 M427 I430 L445	M158-I423 HydrophobicContact CE-CG1 4.47Å; M158-I423 HydrophobicContact SD-CD1 4.09Å; A419-I423 VanDerWaalsContact O-CG1 3.3Å; A419-I423 WeakPolarHBondContact O-CG1 3.35Å; A419-I423 PolarHBondContact O-N 2.95Å; L420-I423 PolarHBondContact O-N 3.4Å; Q421-I423 VanDerWaalsContact C-N 3.3Å; Q421-I423 PolarHBondContact O-N 3.25Å; I423-K425 VanDerWaalsContact C-N 3.29Å; I423-K425 PolarHBondContact O-N 3.35Å; I423-K426 CarbonylContact O-C 3.54Å; I423-K426 VanDerWaalsContact O-C 3.28Å; I423-K426 WeakPolarHBondContact O-CA 3.5Å; I423-K426 PolarHBondContact O-N 3.23Å; I423-M427 HydrophobicContact CG2-CG 4.42Å; I423-M427 WeakPolarHBondContact O-CG 3.42Å; I423-M427 PolarHBondContact O-N 3.44Å; I423-I430 HydrophobicContact CG2-CD1 4.06Å; I423-L445 HydrophobicContact CG1-CD1 4.25Å
424	R	85.9	Confident	81.8	Confident	123 Å²	123	72.1 Å²	72.1	46%	0.464	36%	0.361	S	S	.	.	H	α-helix	trans	-55.9	-41.3	179.5	-76.7	176.9	-163.8	155.4	8.1	112.7	L420 Q421 K426 M427	L420-R424 WeakPolarHBondContact O-CB 3.47Å; L420-R424 VanDerWaalsContact O-CG 3.31Å; L420-R424 WeakPolarHBondContact O-CG 3.36Å; L420-R424 PolarHBondContact O-N 2.96Å; Q421-R424 PolarHBondContact O-N 3.22Å; R424-K426 PolarHBondContact O-N 3.24Å; R424-M427 HydrophobicContact CB-SD 4.45Å; R424-M427 HydrophobicContact CG-SD 4.16Å; R424-M427 PolarHBondContact O-N 3.39Å
425	K	84.1	Confident	80.6	Confident	111 Å²	111	81.3 Å²	81.3	48%	0.483	40%	0.404	S	S	.	.	H	α-helix	trans	-64.5	-23.3	176.7	-71.9	174.5	178.2	174.3	0	113.4	Q421 I423 D451	Q421-K425 WeakPolarHBondContact O-CG 3.5Å; Q421-K425 PolarHBondContact O-N 3.06Å; Q421-K425 VanDerWaalsContact O-N 3.09Å; I423-K425 VanDerWaalsContact C-N 3.29Å; I423-K425 PolarHBondContact O-N 3.35Å; K425-D451 VanDerWaalsContact CE-OD1 3.26Å; K425-D451 WeakPolarHBondContact CE-OD1 3.4Å; K425-D451 IonicContact NZ-OD1 3.82Å; K425-D451 PolarHBondContact NZ-OD1 3.19Å
426	K	76.3	Confident	79.6	Confident	72 Å²	72	83.9 Å²	83.9	31%	0.313	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	15.9	-177.2	-68.8	-175.7	174.3	175.2	0	112.7	A422 I423 R424 D428 L429 S444 L445	A422-K426 PolarHBondContact O-N 3.29Å; I423-K426 CarbonylContact O-C 3.54Å; I423-K426 VanDerWaalsContact O-C 3.28Å; I423-K426 WeakPolarHBondContact O-CA 3.5Å; I423-K426 PolarHBondContact O-N 3.23Å; R424-K426 PolarHBondContact O-N 3.24Å; K426-D428 PolarHBondContact O-N 3.24Å; K426-L429 HydrophobicContact CB-CD1 4.34Å; K426-L429 WeakPolarHBondContact O-CB 3.38Å; K426-L429 PolarHBondContact O-N 3.01Å; K426-S444 PolarHBondContact NZ-O 3.05Å; K426-L445 HydrophobicContact CB-CD2 3.62Å; K426-L445 HydrophobicContact CD-CD2 3.38Å; K426-L445 HydrophobicContact CG-CD2 4.12Å
427	M	68.9	Low	78.9	Confident	81 Å²	81	84.1 Å²	84.1	40%	0.399	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-61	-29.4	179.8	-88.8	-179.5	72.1	0	0	112.9	I423 R424 L429 I430 L432	I423-M427 HydrophobicContact CG2-CG 4.42Å; I423-M427 WeakPolarHBondContact O-CG 3.42Å; I423-M427 PolarHBondContact O-N 3.44Å; R424-M427 HydrophobicContact CB-SD 4.45Å; R424-M427 HydrophobicContact CG-SD 4.16Å; R424-M427 PolarHBondContact O-N 3.39Å; M427-L429 PolarHBondContact O-N 3.4Å; M427-L429 VanDerWaalsContact O-N 3.11Å; M427-I430 PolarHBondContact O-N 3.42Å; M427-L432 HydrophobicContact CE-CD1 4.06Å
428	D	67	Low	78.2	Confident	166 Å²	166	83.5 Å²	83.5	89%	0.888	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-63.4	-15.7	176.7	-62.6	-23.7	0	0	0	113.2	K426	K426-D428 PolarHBondContact O-N 3.24Å
429	L	67.6	Low	77.4	Confident	120 Å²	120	83.5 Å²	83.5	63%	0.628	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-94.9	-9.2	176.9	-62.3	170.3	0	0	0	113.2	K426 M427	K426-L429 HydrophobicContact CB-CD1 4.34Å; K426-L429 WeakPolarHBondContact O-CB 3.38Å; K426-L429 PolarHBondContact O-N 3.01Å; M427-L429 PolarHBondContact O-N 3.4Å; M427-L429 VanDerWaalsContact O-N 3.11Å
430	I	68.2	Low	76.8	Confident	26 Å²	26	87.8 Å²	87.8	13%	0.133	43%	0.433	C	S	.	.	S	Bend	trans	-106.3	114.8	-176.7	-57.8	173	0	0	0	107.6	I423 M427 L432 V441 L445	I423-I430 HydrophobicContact CG2-CD1 4.06Å; M427-I430 PolarHBondContact O-N 3.42Å; I430-L432 PolarHBondContact O-N 3.26Å; I430-V441 HydrophobicContact CG1-CG1 4.33Å; I430-L445 HydrophobicContact CD1-CD1 4.37Å
431	D	67.6	Low	76.4	Confident	96 Å²	96	86.4 Å²	86.4	51%	0.513	43%	0.428	S	S	.	.			trans	-72.3	113.4	171.4	-162.1	-20.1	0	0	0	109.3	E433	D431-E433 PolarHBondContact O-N 3.05Å; D431-E433 WeakPolarHBondContact OD1-CB 3.48Å; D431-E433 PolarHBondContact OD1-N 3.49Å
432	L	68.7	Low	75.7	Confident	137 Å²	137	86.2 Å²	86.2	72%	0.717	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.9	179.9	-67.6	167.6	0	0	0	112.3	M427 I430	M427-L432 HydrophobicContact CE-CD1 4.06Å; I430-L432 PolarHBondContact O-N 3.26Å
433	E	68.3	Low	75.1	Confident	176 Å²	176	88 Å²	88	82%	0.822	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-18.8	177.5	-60.5	-172.6	172.3	0	0	112.5	D431	D431-E433 PolarHBondContact O-N 3.05Å; D431-E433 WeakPolarHBondContact OD1-CB 3.48Å; D431-E433 PolarHBondContact OD1-N 3.49Å
434	D	71.7	Confident	74.9	Confident	106 Å²	106	88.8 Å²	88.8	57%	0.567	45%	0.446	S	S	*	.			trans	-83.5	131.2	177	-83.3	-25.9	0	0	0	112.2	T436	D434-T436 PolarHBondContact O-N 3.01Å
435	E	70.2	Confident	74.8	Confident	196 Å²	196	83.1 Å²	83.1	92%	0.916	43%	0.425	S	S	*	.	S	Bend	trans	-72.1	-10.7	175.9	-68.1	-175.7	171.8	0	0	113.2
436	T	74.3	Confident	75.1	Confident	56 Å²	56	78.9 Å²	78.9	34%	0.344	41%	0.411	S	S	.	.	S	Bend	trans	-133.1	139.8	-178.6	63.8	0	0	0	0	111	T127 D434	T127-T436 HydrophobicContact CG2-CG2 3.91Å; T127-T436 WeakPolarHBondContact CG2-OG1 3.36Å; T127-T436 PolarHBondContact OG1-OG1 2.77Å; D434-T436 PolarHBondContact O-N 3.01Å
437	I	76.9	Confident	75.9	Confident	67 Å²	67	75.5 Å²	75.5	34%	0.344	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.2	179.1	-55.9	175.6	0	0	0	109.5	T127 A439 M442	T127-I437 PolarHBondContact N-O 3.27Å; I437-A439 PolarHBondContact O-N 2.99Å; I437-M442 HydrophobicContact CG2-CG 3.69Å; I437-M442 HydrophobicContact CG2-SD 3.92Å
438	D	79.8	Confident	77.2	Confident	60 Å²	60	73.6 Å²	73.6	32%	0.321	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	130.4	174.8	-165	-41.3	0	0	0	111	E440 V441 M442	D438-E440 PolarHBondContact O-N 2.97Å; D438-E440 WeakPolarHBondContact OD1-CB 3.18Å; D438-E440 PolarHBondContact OD1-N 3Å; D438-V441 HydrophobicContact CB-CG2 4.15Å; D438-V441 PolarHBondContact O-N 3.44Å; D438-M442 PolarHBondContact O-N 2.89Å
439	A	78.5	Confident	78.6	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.8	-30.7	177	0	0	0	0	0	113.3	T127 L130 V133 Y134 I437 M442 N443	T127-A439 PolarHBondContact O-N 3.35Å; L130-A439 HydrophobicContact CD2-CB 4.41Å; V133-A439 HydrophobicContact CB-CB 4.34Å; V133-A439 HydrophobicContact CG1-CB 4.23Å; V133-A439 HydrophobicContact CG2-CB 4Å; Y134-A439 HydrophobicContact CE2-CB 4.21Å; I437-A439 PolarHBondContact O-N 2.99Å; A439-M442 PolarHBondContact O-N 2.88Å; A439-N443 WeakPolarHBondContact O-CB 3.28Å; A439-N443 PolarHBondContact O-N 2.97Å
440	E	79.6	Confident	79.9	Confident	97 Å²	97	64.7 Å²	64.7	45%	0.453	34%	0.342	S	S	.	.	H	α-helix	trans	-67.1	-41.7	177.9	-71.2	-173.5	-173.5	0	0	111.7	V133 D438 N443 S444	V133-E440 HydrophobicContact CG2-CB 4.29Å; V133-E440 HydrophobicContact CG2-CG 3.56Å; D438-E440 PolarHBondContact O-N 2.97Å; D438-E440 WeakPolarHBondContact OD1-CB 3.18Å; D438-E440 PolarHBondContact OD1-N 3Å; E440-N443 PolarHBondContact O-N 2.95Å; E440-S444 PolarHBondContact O-N 3.22Å; E440-S444 VanDerWaalsContact O-N 3.08Å
441	V	79.9	Confident	81.2	Confident	46 Å²	46	63.5 Å²	63.5	28%	0.279	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-48.3	175.7	177.1	0	0	0	0	109.3	I430 D438 N443 S444 L445	I430-V441 HydrophobicContact CG1-CG1 4.33Å; D438-V441 HydrophobicContact CB-CG2 4.15Å; D438-V441 PolarHBondContact O-N 3.44Å; V441-N443 VanDerWaalsContact C-N 3.3Å; V441-N443 PolarHBondContact O-N 2.76Å; V441-S444 WeakPolarHBondContact O-CB 3.33Å; V441-S444 PolarHBondContact O-N 2.77Å; V441-S444 PolarHBondContact O-OG 2.74Å; V441-L445 PolarHBondContact O-N 2.88Å
442	M	78.4	Confident	82.6	Confident	26 Å²	26	59 Å²	59	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-38.9	177.3	-70.4	-61.3	-63.4	0	0	112.9	G157 M158 I437 D438 A439 S444 L445	G157-M442 VanDerWaalsContact O-CE 3.3Å; G157-M442 WeakPolarHBondContact O-CE 3.36Å; M158-M442 HydrophobicContact CB-CE 4.05Å; M158-M442 HydrophobicContact CG-CE 4.33Å; M158-M442 HydrophobicContact SD-CE 4.25Å; I437-M442 HydrophobicContact CG2-CG 3.69Å; I437-M442 HydrophobicContact CG2-SD 3.92Å; D438-M442 PolarHBondContact O-N 2.89Å; A439-M442 PolarHBondContact O-N 2.88Å; M442-S444 VanDerWaalsContact C-N 3.27Å; M442-S444 PolarHBondContact O-N 2.74Å; M442-L445 HydrophobicContact CE-CD1 4.46Å; M442-L445 WeakPolarHBondContact O-CB 3.38Å; M442-L445 PolarHBondContact O-N 2.83Å; M442-L445 HydrophobicContact SD-CD1 3.85Å
443	N	79.4	Confident	83.8	Confident	42 Å²	42	57.2 Å²	57.2	23%	0.225	30%	0.298	C	S	.	.	H	α-helix	trans	-74.4	-17	178.6	-162.5	30.7	0	0	0	113.6	V133 K389 A439 E440 V441	V133-N443 HydrophobicContact CG1-CB 3.78Å; K389-N443 WeakPolarHBondContact CD-O 3.27Å; K389-N443 PolarHBondContact NZ-O 3.1Å; A439-N443 WeakPolarHBondContact O-CB 3.28Å; A439-N443 PolarHBondContact O-N 2.97Å; E440-N443 PolarHBondContact O-N 2.95Å; V441-N443 VanDerWaalsContact C-N 3.3Å; V441-N443 PolarHBondContact O-N 2.76Å
444	S	80.9	Confident	85	Confident	61 Å²	61	52.4 Å²	52.4	43%	0.427	27%	0.272	S	S	.	.	H	α-helix	trans	-82.2	-15.2	172	81.8	0	0	0	0	113.2	K426 E440 V441 M442 A446	K426-S444 PolarHBondContact NZ-O 3.05Å; E440-S444 PolarHBondContact O-N 3.22Å; E440-S444 VanDerWaalsContact O-N 3.08Å; V441-S444 WeakPolarHBondContact O-CB 3.33Å; V441-S444 PolarHBondContact O-N 2.77Å; V441-S444 PolarHBondContact O-OG 2.74Å; M442-S444 VanDerWaalsContact C-N 3.27Å; M442-S444 PolarHBondContact O-N 2.74Å; S444-A446 PolarHBondContact O-N 2.86Å
445	L	84.1	Confident	86.1	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.016	25%	0.246	C	C	.	.			trans	-77.4	89.1	176.9	-63.8	175.9	0	0	0	110.5	M158 I423 K426 I430 V441 M442	M158-L445 HydrophobicContact CE-CB 4.5Å; I423-L445 HydrophobicContact CG1-CD1 4.25Å; K426-L445 HydrophobicContact CB-CD2 3.62Å; K426-L445 HydrophobicContact CD-CD2 3.38Å; K426-L445 HydrophobicContact CG-CD2 4.12Å; I430-L445 HydrophobicContact CD1-CD1 4.37Å; V441-L445 PolarHBondContact O-N 2.88Å; M442-L445 HydrophobicContact CE-CD1 4.46Å; M442-L445 WeakPolarHBondContact O-CB 3.38Å; M442-L445 PolarHBondContact O-N 2.83Å; M442-L445 HydrophobicContact SD-CD1 3.85Å
446	A	90.1	Very high	87	Confident	23 Å²	23	39.4 Å²	39.4	19%	0.19	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	136.5	166.9	0	0	0	0	0	111.5	K389 A391 S444	K389-A446 HydrophobicContact CD-CB 4.5Å; K389-A446 HydrophobicContact CG-CB 4.32Å; K389-A446 CarbonylContact O-C 3.56Å; K389-A446 VanDerWaalsContact O-CA 3.3Å; K389-A446 WeakPolarHBondContact O-CA 3.45Å; A391-A446 HydrophobicContact CB-CB 4.38Å; S444-A446 PolarHBondContact O-N 2.86Å
447	V	94	Very high	87.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.8	172.7	-175.1	0	0	0	0	108.7	M158 K389 L390 A391 V394 A418 A422 D451 F452	M158-V447 HydrophobicContact CE-CG2 3.68Å; K389-V447 PolarHBondContact O-N 3.32Å; L390-V447 HydrophobicContact CD2-CB 4.35Å; A391-V447 WeakPolarHBondContact CB-O 3.34Å; A391-V447 PolarHBondContact N-O 3.07Å; V394-V447 WeakPolarHBondContact CG2-O 3.37Å; A418-V447 HydrophobicContact CB-CG1 4.24Å; A422-V447 HydrophobicContact CB-CB 4.41Å; A422-V447 HydrophobicContact CB-CG1 4.44Å; A422-V447 HydrophobicContact CB-CG2 4.04Å; V447-D451 HydrophobicContact CG1-CB 3.99Å; V447-F452 HydrophobicContact CG1-CD2 4.16Å; V447-F452 HydrophobicContact CG1-CE2 3.74Å
448	T	96	Very high	88.2	Confident	41 Å²	41	42.7 Å²	42.7	25%	0.252	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-100.5	164.8	-174.9	62.9	0	0	0	0	112.4	A391 D450 D451 F452	A391-T448 HydrophobicContact CB-CG2 4.19Å; T448-D450 PolarHBondContact O-N 3.25Å; T448-D451 PolarHBondContact N-OD2 3.08Å; T448-D451 WeakPolarHBondContact O-CB 3.45Å; T448-D451 PolarHBondContact O-N 3.3Å; T448-D451 VanDerWaalsContact O-N 3.08Å; T448-D451 VanDerWaalsContact OG1-CG 3.29Å; T448-D451 PolarHBondContact OG1-N 3.44Å; T448-D451 PolarHBondContact OG1-OD2 3.49Å; T448-F452 PolarHBondContact O-N 2.79Å
449	M	96.2	Very high	88.3	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-63.9	-29.6	176.8	-171.7	56.1	-179.7	0	0	112.1	D393 Q398 V399 D451 F452 K453	D393-M449 HydrophobicContact CB-CB 4.44Å; D393-M449 WeakPolarHBondContact O-CB 3.43Å; D393-M449 VanDerWaalsContact OD2-CB 3.27Å; D393-M449 WeakPolarHBondContact OD2-CB 3.29Å; D393-M449 PolarHBondContact OD2-N 3.41Å; Q398-M449 HydrophobicContact CB-CE 4.13Å; Q398-M449 HydrophobicContact CG-CE 4.05Å; V399-M449 HydrophobicContact CG2-CE 3.84Å; V399-M449 HydrophobicContact CG2-SD 4.15Å; M449-D451 VanDerWaalsContact C-N 3.28Å; M449-D451 PolarHBondContact O-N 3.39Å; M449-F452 WeakPolarHBondContact O-CB 3.32Å; M449-F452 PolarHBondContact O-N 3.33Å; M449-F452 HydrophobicContact SD-CB 4.23Å; M449-K453 WeakPolarHBondContact O-CG 3.2Å; M449-K453 PolarHBondContact O-N 2.85Å
450	D	95.4	Very high	88.1	Confident	93 Å²	93	47.9 Å²	47.9	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-28.8	175.1	-75.2	-13.8	0	0	0	112.9	T448 K453 W454	T448-D450 PolarHBondContact O-N 3.25Å; D450-K453 IonicContact OD1-NZ 3.48Å; D450-W454 WeakPolarHBondContact O-CB 3.04Å; D450-W454 PolarHBondContact O-N 3.49Å
451	D	95.8	Very high	88	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.011	25%	0.245	C	C	.	.	H	α-helix	trans	-68	-40.4	172.6	-59.7	-49.3	0	0	0	111	A418 Q421 K425 V447 T448 M449 W454 A455	A418-D451 HydrophobicContact CB-CB 4.35Å; Q421-D451 HydrophobicContact CB-CB 4.44Å; Q421-D451 HydrophobicContact CG-CB 4.48Å; K425-D451 VanDerWaalsContact CE-OD1 3.26Å; K425-D451 WeakPolarHBondContact CE-OD1 3.4Å; K425-D451 IonicContact NZ-OD1 3.82Å; K425-D451 PolarHBondContact NZ-OD1 3.19Å; V447-D451 HydrophobicContact CG1-CB 3.99Å; T448-D451 PolarHBondContact N-OD2 3.08Å; T448-D451 WeakPolarHBondContact O-CB 3.45Å; T448-D451 PolarHBondContact O-N 3.3Å; T448-D451 VanDerWaalsContact O-N 3.08Å; T448-D451 VanDerWaalsContact OG1-CG 3.29Å; T448-D451 PolarHBondContact OG1-N 3.44Å; T448-D451 PolarHBondContact OG1-OD2 3.49Å; M449-D451 VanDerWaalsContact C-N 3.28Å; M449-D451 PolarHBondContact O-N 3.39Å; D451-W454 PolarHBondContact O-N 3.24Å; D451-A455 WeakPolarHBondContact O-CB 3.45Å; D451-A455 PolarHBondContact O-N 2.96Å
452	F	96.1	Very high	87.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-44.7	173.1	-81.3	-84.3	0	0	0	112.2	T385 L390 V394 L396 V399 A418 V447 T448 M449 W454 A455 L456	T385-F452 HydrophobicContact CG2-CZ 3.84Å; L390-F452 HydrophobicContact CD2-CE2 4.06Å; L390-F452 HydrophobicContact CD2-CZ 4.36Å; V394-F452 HydrophobicContact CG1-CD2 4.14Å; V394-F452 HydrophobicContact CG1-CE2 3.96Å; L396-F452 HydrophobicContact CD2-CE1 4.47Å; L396-F452 HydrophobicContact CD2-CZ 4.19Å; V399-F452 HydrophobicContact CG1-CD1 4.3Å; V399-F452 HydrophobicContact CG2-CB 4.11Å; V399-F452 HydrophobicContact CG2-CD1 4.12Å; V399-F452 HydrophobicContact CG2-CG 4.25Å; A418-F452 HydrophobicContact CB-CD1 4.02Å; A418-F452 HydrophobicContact CB-CD2 4.24Å; A418-F452 HydrophobicContact CB-CE1 4.11Å; A418-F452 HydrophobicContact CB-CE2 4.31Å; A418-F452 HydrophobicContact CB-CG 4.09Å; A418-F452 HydrophobicContact CB-CZ 4.25Å; V447-F452 HydrophobicContact CG1-CD2 4.16Å; V447-F452 HydrophobicContact CG1-CE2 3.74Å; T448-F452 PolarHBondContact O-N 2.79Å; M449-F452 WeakPolarHBondContact O-CB 3.32Å; M449-F452 PolarHBondContact O-N 3.33Å; M449-F452 HydrophobicContact SD-CB 4.23Å; F452-W454 VanDerWaalsContact C-N 3.29Å; F452-W454 PolarHBondContact O-N 3.41Å; F452-A455 PolarHBondContact O-N 2.98Å; F452-L456 WeakPolarHBondContact O-CB 3.47Å; F452-L456 WeakPolarHBondContact O-CG 3.12Å; F452-L456 PolarHBondContact O-N 3.26Å
453	K	93.4	Very high	87.5	Confident	100 Å²	100	45.4 Å²	45.4	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-40.4	175	-71.6	174.1	-173.9	162.2	0	111.9	M449 D450 L456 S457	M449-K453 WeakPolarHBondContact O-CG 3.2Å; M449-K453 PolarHBondContact O-N 2.85Å; D450-K453 IonicContact OD1-NZ 3.48Å; K453-L456 PolarHBondContact O-N 3.38Å; K453-S457 PolarHBondContact O-N 2.91Å; K453-S457 VanDerWaalsContact O-N 3.17Å
454	W	94.4	Very high	86.5	Confident	76 Å²	76	49 Å²	49	29%	0.288	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-47.3	174.2	-179.5	86.2	0	0	0	111.1	E417 Q421 D450 D451 F452 L456 S457 Q458	E417-W454 HydrophobicContact CB-CZ3 4.41Å; Q421-W454 HydrophobicContact CB-CD2 4.35Å; Q421-W454 HydrophobicContact CB-CE3 3.66Å; Q421-W454 HydrophobicContact CB-CZ3 3.97Å; Q421-W454 HydrophobicContact CG-CB 4.39Å; Q421-W454 HydrophobicContact CG-CD2 3.8Å; Q421-W454 HydrophobicContact CG-CE3 3.63Å; Q421-W454 HydrophobicContact CG-CG 4.12Å; Q421-W454 HydrophobicContact CG-CZ3 4.27Å; D450-W454 WeakPolarHBondContact O-CB 3.04Å; D450-W454 PolarHBondContact O-N 3.49Å; D451-W454 PolarHBondContact O-N 3.24Å; F452-W454 VanDerWaalsContact C-N 3.29Å; F452-W454 PolarHBondContact O-N 3.41Å; W454-L456 VanDerWaalsContact C-N 3.32Å; W454-L456 PolarHBondContact O-N 3.26Å; W454-S457 WeakPolarHBondContact O-CB 3.39Å; W454-S457 PolarHBondContact O-N 3.3Å; W454-S457 VanDerWaalsContact O-N 3.1Å; W454-S457 PolarHBondContact O-OG 2.86Å; W454-Q458 HydrophobicContact CD2-CG 4.43Å; W454-Q458 HydrophobicContact CH2-CG 3.99Å; W454-Q458 HydrophobicContact CZ2-CG 3.9Å; W454-Q458 HydrophobicContact CZ3-CG 4.32Å; W454-Q458 PolarHBondContact O-N 3.48Å
455	A	94.7	Very high	85.4	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-40.1	178.4	0	0	0	0	0	112	L414 E417 A418 D451 F452 S457 Q458 S459	L414-A455 VanDerWaalsContact CD1-C 3.48Å; L414-A455 HydrophobicContact CD1-CB 3.63Å; L414-A455 HydrophobicContact CG-CB 4.38Å; E417-A455 HydrophobicContact CB-CB 4.03Å; A418-A455 HydrophobicContact CB-CB 4.09Å; D451-A455 WeakPolarHBondContact O-CB 3.45Å; D451-A455 PolarHBondContact O-N 2.96Å; F452-A455 PolarHBondContact O-N 2.98Å; A455-S457 VanDerWaalsContact C-N 3.26Å; A455-S457 PolarHBondContact O-N 2.57Å; A455-Q458 PolarHBondContact O-N 3.1Å; A455-S459 PolarHBondContact O-N 3.07Å
456	L	89.8	Confident	84.5	Confident	28 Å²	28	61.6 Å²	61.6	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-59.6	-36.6	174.9	-75.5	169.7	0	0	0	112.2	V399 T403 L414 F452 K453 W454 Q458 S459	V399-L456 HydrophobicContact CG1-CD1 4.49Å; V399-L456 HydrophobicContact CG1-CD2 4.47Å; T403-L456 HydrophobicContact CG2-CD2 3.42Å; T403-L456 VanDerWaalsContact CG2-CD2 3.42Å; L414-L456 HydrophobicContact CD1-CD2 3.84Å; L414-L456 HydrophobicContact CD1-CG 4Å; L414-L456 HydrophobicContact CD2-CD2 3.82Å; L414-L456 HydrophobicContact CD2-CG 4.43Å; F452-L456 WeakPolarHBondContact O-CB 3.47Å; F452-L456 WeakPolarHBondContact O-CG 3.12Å; F452-L456 PolarHBondContact O-N 3.26Å; K453-L456 PolarHBondContact O-N 3.38Å; W454-L456 VanDerWaalsContact C-N 3.32Å; W454-L456 PolarHBondContact O-N 3.26Å; L456-Q458 PolarHBondContact O-N 2.89Å; L456-S459 WeakPolarHBondContact CA-OG 3.36Å; L456-S459 PolarHBondContact O-N 3.15Å; L456-S459 PolarHBondContact O-OG 3.3Å; L456-S459 VanDerWaalsContact O-OG 3.04Å
457	S	88	Confident	83.3	Confident	79 Å²	79	62.2 Å²	62.2	55%	0.552	32%	0.317	S	S	*	.	H	α-helix	trans	-67	-20.6	176.5	80.6	0	0	0	0	113.6	K453 W454 A455	K453-S457 PolarHBondContact O-N 2.91Å; K453-S457 VanDerWaalsContact O-N 3.17Å; W454-S457 WeakPolarHBondContact O-CB 3.39Å; W454-S457 PolarHBondContact O-N 3.3Å; W454-S457 VanDerWaalsContact O-N 3.1Å; W454-S457 PolarHBondContact O-OG 2.86Å; A455-S457 VanDerWaalsContact C-N 3.26Å; A455-S457 PolarHBondContact O-N 2.57Å
458	Q	87.5	Confident	82.1	Confident	113 Å²	113	63.7 Å²	63.7	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-101.7	-23.8	179.9	-57.3	-53.8	-61.3	0	0	112.7	W454 A455 L456	W454-Q458 HydrophobicContact CD2-CG 4.43Å; W454-Q458 HydrophobicContact CH2-CG 3.99Å; W454-Q458 HydrophobicContact CZ2-CG 3.9Å; W454-Q458 HydrophobicContact CZ3-CG 4.32Å; W454-Q458 PolarHBondContact O-N 3.48Å; A455-Q458 PolarHBondContact O-N 3.1Å; L456-Q458 PolarHBondContact O-N 2.89Å
459	S	81.2	Confident	81.1	Confident	30 Å²	30	63.2 Å²	63.2	21%	0.21	32%	0.323	C	S	.	.			trans	-74	131.7	-177.5	62	0	0	0	0	111.9	A455 L456	A455-S459 PolarHBondContact O-N 3.07Å; L456-S459 WeakPolarHBondContact CA-OG 3.36Å; L456-S459 PolarHBondContact O-N 3.15Å; L456-S459 PolarHBondContact O-OG 3.3Å; L456-S459 VanDerWaalsContact O-OG 3.04Å
460	N	75.3	Confident	80.2	Confident	138 Å²	138	65.4 Å²	65.4	74%	0.738	33%	0.333	S	S	*	.			trans	-111	126.8	169.1	-70.2	-65.8	0	0	0	108.8	S462	N460-S462 PolarHBondContact O-N 3.24Å
461	P	78.3	Confident	79.5	Confident	29 Å²	29	63.3 Å²	63.3	19%	0.188	32%	0.323	C	S	.	.			trans	-69.9	132.4	-180	-1.1	10.7	0	0	0	111.2	A463 L464	P461-A463 VanDerWaalsContact C-N 3.28Å; P461-A463 PolarHBondContact O-N 3.4Å; P461-L464 HydrophobicContact CB-CD1 4.08Å; P461-L464 HydrophobicContact CB-CG 3.81Å; P461-L464 HydrophobicContact CG-CD1 3.49Å; P461-L464 VanDerWaalsContact CG-CD1 3.49Å; P461-L464 HydrophobicContact CG-CD2 4.09Å; P461-L464 HydrophobicContact CG-CG 3.56Å
462	S	75.8	Confident	78.9	Confident	84 Å²	84	63.5 Å²	63.5	59%	0.587	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-22	-178.8	-68.1	0	0	0	0	113	D410 N460	D410-S462 WeakPolarHBondContact OD1-CB 3.47Å; D410-S462 PolarHBondContact OD1-OG 2.98Å; D410-S462 WeakPolarHBondContact OD2-CB 3.45Å; D410-S462 PolarHBondContact OD2-N 2.88Å; D410-S462 PolarHBondContact OD2-OG 3.48Å; N460-S462 PolarHBondContact O-N 3.24Å
463	A	70.6	Confident	78.3	Confident	4 Å²	4	70 Å²	70	3%	0.033	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	20.2	-170.5	0	0	0	0	0	115.4	I371 G405 V407 P461 R465 E466	I371-A463 HydrophobicContact CD1-CB 3.41Å; I371-A463 VanDerWaalsContact CD1-CB 3.41Å; I371-A463 HydrophobicContact CG1-CB 3.84Å; G405-A463 WeakPolarHBondContact O-CB 3.36Å; G405-A463 PolarHBondContact O-N 3.46Å; V407-A463 HydrophobicContact CG1-CB 3.85Å; P461-A463 VanDerWaalsContact C-N 3.28Å; P461-A463 PolarHBondContact O-N 3.4Å; A463-R465 PolarHBondContact O-N 3.33Å; A463-E466 PolarHBondContact O-N 3Å; A463-E466 VanDerWaalsContact O-N 3.08Å
464	L	59.4	Low	78.1	Confident	118 Å²	118	66.3 Å²	66.3	62%	0.618	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-23.7	178	-89.2	161.3	0	0	0	115.6	P461	P461-L464 HydrophobicContact CB-CD1 4.08Å; P461-L464 HydrophobicContact CB-CG 3.81Å; P461-L464 HydrophobicContact CG-CD1 3.49Å; P461-L464 VanDerWaalsContact CG-CD1 3.49Å; P461-L464 HydrophobicContact CG-CD2 4.09Å; P461-L464 HydrophobicContact CG-CG 3.56Å
465	R	58.3	Low	77.9	Confident	253 Å²	253	65 Å²	65	96%	0.955	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-5.1	-175.8	-66.7	-174.6	-175.3	172.5	3.4	114	A463	A463-R465 PolarHBondContact O-N 3.33Å
466	E	64.4	Low	77.8	Confident	75 Å²	75	66.2 Å²	66.2	35%	0.35	35%	0.349	S	S	.	.	S	Bend	trans	-91.2	150.1	-176.9	-68.2	-162.9	-179.3	0	0	112.7	P246 I371 A463 V468	P246-E466 WeakPolarHBondContact CB-OE1 3.48Å; P246-E466 WeakPolarHBondContact CG-OE1 3.32Å; P246-E466 WeakPolarHBondContact CG-OE2 3.44Å; I371-E466 HydrophobicContact CD1-CB 3.84Å; A463-E466 PolarHBondContact O-N 3Å; A463-E466 VanDerWaalsContact O-N 3.08Å; E466-V468 PolarHBondContact O-N 2.96Å
467	T	65.8	Low	77.8	Confident	37 Å²	37	70.7 Å²	70.7	23%	0.227	37%	0.373	C	S	.	.			trans	-67.3	103.9	173	47	0	0	0	0	109.4	I562 K565	T467-I562 HydrophobicContact CG2-CG1 4.4Å; T467-K565 PolarHBondContact O-NZ 3.47Å
468	V	67.7	Low	77.8	Confident	30 Å²	30	69.1 Å²	69.1	18%	0.182	36%	0.358	C	S	.	.			trans	-71.6	133	-179.6	-175.4	0	0	0	0	109.4	E466 E470	E466-V468 PolarHBondContact O-N 2.96Å; V468-E470 HydrophobicContact CG1-CB 4.34Å; V468-E470 HydrophobicContact CG1-CG 4.37Å
469	V	74.2	Confident	78	Confident	32 Å²	32	64.2 Å²	64.2	19%	0.194	34%	0.336	C	S	.	.			trans	-106.8	113.5	172.3	-175.3	0	0	0	0	106.1	N538 I540 K565 A569	V469-N538 HydrophobicContact CG1-CB 3.7Å; V469-I540 HydrophobicContact CB-CG1 4.46Å; V469-I540 HydrophobicContact CG1-CG1 4.26Å; V469-I540 HydrophobicContact CG2-CD1 3.88Å; V469-I540 HydrophobicContact CG2-CG1 3.94Å; V469-K565 HydrophobicContact CG2-CD 3.83Å; V469-K565 HydrophobicContact CG2-CG 4Å; V469-A569 HydrophobicContact CG1-CB 3.88Å
470	E	77.7	Confident	78.4	Confident	51 Å²	51	63.3 Å²	63.3	24%	0.238	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-144.4	157.7	179.8	63.5	-177	-176	0	0	110.9	D373 H404 V468 P472 F539	D373-E470 HydrophobicContact CB-CB 4.44Å; H404-E470 IonicContact CE1-OE2 3.29Å; H404-E470 IonicContact ND1-OE2 3.43Å; V468-E470 HydrophobicContact CG1-CB 4.34Å; V468-E470 HydrophobicContact CG1-CG 4.37Å; E470-P472 WeakPolarHBondContact O-CD 3.37Å; E470-F539 PolarHBondContact N-O 3.23Å; E470-F539 WeakPolarHBondContact O-CA 3.41Å; E470-F539 WeakPolarHBondContact O-CB 3.4Å; E470-F539 PolarHBondContact O-N 3.4Å
471	V	80.6	Confident	79.1	Confident	49 Å²	49	57 Å²	57	30%	0.297	30%	0.299	S	S	.	.			trans	-82.3	121.2	166.5	-178.2	0	0	0	0	107.4
472	P	84.6	Confident	79.7	Confident	6 Å²	6	57 Å²	57	4%	0.039	30%	0.297	C	S	.	.			trans	-64.2	147.8	180	-22.2	35.1	0	0	0	111.5	E470 I474 K529 A532 N533 F539	E470-P472 WeakPolarHBondContact O-CD 3.37Å; P472-I474 VanDerWaalsContact C-N 3.34Å; P472-K529 HydrophobicContact CB-CB 3.81Å; P472-K529 HydrophobicContact CB-CG 4.15Å; P472-K529 HydrophobicContact CG-CB 4.15Å; P472-K529 HydrophobicContact CG-CG 4.23Å; P472-A532 HydrophobicContact CG-CB 4.03Å; P472-N533 VanDerWaalsContact O-CB 3.29Å; P472-N533 WeakPolarHBondContact O-CB 3.2Å; P472-N533 PolarHBondContact O-OD1 3.12Å; P472-F539 VanDerWaalsContact CD-CB 3.49Å; P472-F539 HydrophobicContact CG-CB 3.33Å; P472-F539 HydrophobicContact CG-CD1 3.9Å; P472-F539 HydrophobicContact CG-CD2 4.18Å; P472-F539 HydrophobicContact CG-CG 3.57Å
473	N	82.8	Confident	80.4	Confident	137 Å²	137	58.3 Å²	58.3	73%	0.733	29%	0.294	S	S	*	.			trans	-89.9	4.6	175.7	63.8	-9.2	0	0	0	114
474	I	88.8	Confident	81.4	Confident	22 Å²	22	63.1 Å²	63.1	11%	0.113	32%	0.319	C	S	.	.			trans	-86.4	131.2	-176.9	-54.9	-171.2	0	0	0	109	P472 D478 L526 K529 A530 N533	P472-I474 VanDerWaalsContact C-N 3.34Å; I474-D478 HydrophobicContact CG2-CB 3.83Å; I474-L526 HydrophobicContact CD1-CD2 3.56Å; I474-K529 HydrophobicContact CB-CB 4.1Å; I474-K529 HydrophobicContact CD1-CB 3.96Å; I474-K529 HydrophobicContact CD1-CD 3.49Å; I474-K529 VanDerWaalsContact CD1-CD 3.49Å; I474-K529 HydrophobicContact CD1-CG 4.37Å; I474-K529 HydrophobicContact CG1-CB 4.29Å; I474-K529 HydrophobicContact CG1-CD 4.32Å; I474-A530 HydrophobicContact CG2-CB 4.39Å; I474-A530 WeakPolarHBondContact O-CA 3.45Å; I474-N533 WeakPolarHBondContact O-CB 3.43Å; I474-N533 PolarHBondContact O-ND2 2.96Å
475	T	91.1	Very high	82.9	Confident	48 Å²	48	58.2 Å²	58.2	29%	0.294	29%	0.294	S	S	.	.			trans	-110.3	171.9	-180	62.1	0	0	0	0	111.4	D477 D478 N533	T475-D477 PolarHBondContact O-N 3.37Å; T475-D477 PolarHBondContact OG1-N 3.37Å; T475-D478 PolarHBondContact N-OD2 2.89Å; T475-D478 WeakPolarHBondContact O-CB 3.29Å; T475-D478 PolarHBondContact O-N 3Å; T475-D478 VanDerWaalsContact O-N 3.15Å; T475-D478 PolarHBondContact OG1-OD2 3.02Å; T475-N533 WeakPolarHBondContact CG2-ND2 3.17Å
476	W	91.6	Very high	84.5	Confident	27 Å²	27	46.9 Å²	46.9	10%	0.102	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61.9	-25	172.8	-64.4	118.6	0	0	0	113.8	D478 I479 K486 L489 Q490 L527 A530 I531 E534	W476-D478 VanDerWaalsContact C-N 3.25Å; W476-D478 PolarHBondContact O-N 3.47Å; W476-I479 HydrophobicContact CE3-CD1 4.4Å; W476-I479 PolarHBondContact O-N 3.3Å; W476-K486 HydrophobicContact CD2-CD 4.26Å; W476-K486 HydrophobicContact CD2-CG 4.4Å; W476-K486 HydrophobicContact CE3-CB 4.14Å; W476-K486 HydrophobicContact CE3-CD 3.7Å; W476-K486 HydrophobicContact CE3-CG 3.58Å; W476-K486 HydrophobicContact CH2-CB 4.41Å; W476-K486 HydrophobicContact CH2-CG 4.46Å; W476-K486 HydrophobicContact CZ3-CB 4.04Å; W476-K486 HydrophobicContact CZ3-CD 4.28Å; W476-K486 HydrophobicContact CZ3-CG 3.63Å; W476-K486 PolarHBondContact O-NZ 3.44Å; W476-L489 HydrophobicContact CH2-CB 4.4Å; W476-L489 HydrophobicContact CH2-CD1 4.25Å; W476-Q490 HydrophobicContact CZ2-CG 4.46Å; W476-L527 HydrophobicContact CZ3-CD2 3.82Å; W476-A530 HydrophobicContact CD2-CB 4.18Å; W476-A530 HydrophobicContact CE3-CB 3.77Å; W476-A530 HydrophobicContact CH2-CB 4.36Å; W476-A530 HydrophobicContact CZ3-CB 3.87Å; W476-I531 HydrophobicContact CH2-CB 3.91Å; W476-I531 HydrophobicContact CH2-CD1 4.19Å; W476-I531 HydrophobicContact CZ2-CB 4.04Å; W476-I531 HydrophobicContact CZ2-CD1 3.72Å; W476-I531 HydrophobicContact CZ2-CG1 4.47Å; W476-E534 HydrophobicContact CZ2-CB 4.45Å; W476-E534 VanDerWaalsContact NE1-CD 3.34Å; W476-E534 PolarHBondContact NE1-OE2 2.94Å
477	D	89.6	Confident	85.9	Confident	122 Å²	122	49.2 Å²	49.2	65%	0.652	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-72.2	-20.9	177.9	-66.5	-24.9	0	0	0	112.6	T475 I479	T475-D477 PolarHBondContact O-N 3.37Å; T475-D477 PolarHBondContact OG1-N 3.37Å; D477-I479 PolarHBondContact O-N 3.48Å
478	D	89.2	Confident	87.1	Confident	46 Å²	46	50.9 Å²	50.9	25%	0.246	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-78.8	-8.3	174.4	-60.7	-57	0	0	0	112.5	I474 T475 W476 R662	I474-D478 HydrophobicContact CG2-CB 3.83Å; T475-D478 PolarHBondContact N-OD2 2.89Å; T475-D478 WeakPolarHBondContact O-CB 3.29Å; T475-D478 PolarHBondContact O-N 3Å; T475-D478 VanDerWaalsContact O-N 3.15Å; T475-D478 PolarHBondContact OG1-OD2 3.02Å; W476-D478 VanDerWaalsContact C-N 3.25Å; W476-D478 PolarHBondContact O-N 3.47Å; D478-R662 IonicContact OD1-CZ 3.8Å; D478-R662 IonicContact OD1-NH1 3.74Å; D478-R662 IonicContact OD1-NH2 2.98Å; D478-R662 PolarHBondContact OD1-NH2 3.33Å
479	I	91.3	Very high	88.2	Confident	11 Å²	11	49.5 Å²	49.5	6%	0.056	25%	0.254	C	S	.	.	S	Bend	trans	-117.3	106.6	-175.9	-54.2	179.7	0	0	0	109.6	W476 D477 G481 K486 L526 L527 A530	W476-I479 HydrophobicContact CE3-CD1 4.4Å; W476-I479 PolarHBondContact O-N 3.3Å; D477-I479 PolarHBondContact O-N 3.48Å; I479-G481 PolarHBondContact O-N 3.21Å; I479-K486 WeakPolarHBondContact O-CE 3.36Å; I479-K486 PolarHBondContact O-NZ 3.47Å; I479-L526 VanDerWaalsContact CD1-C 3.45Å; I479-L526 HydrophobicContact CD1-CB 3.9Å; I479-L526 WeakPolarHBondContact CD1-O 3.29Å; I479-L526 HydrophobicContact CG1-CB 4.07Å; I479-L527 HydrophobicContact CD1-CD2 3.87Å; I479-L527 HydrophobicContact CD1-CG 4.18Å; I479-L527 HydrophobicContact CG2-CD2 4.05Å; I479-A530 HydrophobicContact CD1-CB 3.52Å
480	G	88.8	Confident	88.9	Confident	11 Å²	11	50.3 Å²	50.3	11%	0.113	26%	0.256	C	S	.	.			trans	-75.8	123.6	176.7	0	0	0	0	0	113.2	I656	G480-I656 WeakPolarHBondContact O-CG1 3.48Å
481	G	91.1	Very high	89.5	Confident	6 Å²	6	52.1 Å²	52.1	6%	0.062	26%	0.264	C	S	.	.	S	Bend	trans	81.3	-156.6	175	0	0	0	0	0	114	I479 E483 K486 S652	I479-G481 PolarHBondContact O-N 3.21Å; G481-E483 PolarHBondContact O-N 3.15Å; G481-K486 WeakPolarHBondContact O-CE 3.48Å; G481-K486 PolarHBondContact O-NZ 2.88Å; G481-S652 WeakPolarHBondContact CA-OG 3.4Å
482	L	90.4	Very high	89.8	Confident	29 Å²	29	51.1 Å²	51.1	15%	0.152	26%	0.257	C	S	.	.			trans	56.7	31.6	-179	-56.7	175.5	0	0	0	114.3	D484 V485 K486 L527 I645 P646	L482-D484 VanDerWaalsContact C-N 3.25Å; L482-D484 PolarHBondContact O-N 2.82Å; L482-V485 HydrophobicContact CB-CB 4.26Å; L482-V485 WeakPolarHBondContact O-CA 3.5Å; L482-V485 WeakPolarHBondContact O-CB 3.48Å; L482-V485 PolarHBondContact O-N 2.92Å; L482-K486 WeakPolarHBondContact O-CG 3.34Å; L482-K486 PolarHBondContact O-N 3.45Å; L482-L527 HydrophobicContact CD1-CD1 3.95Å; L482-I645 HydrophobicContact CD1-CG2 3.87Å; L482-P646 HydrophobicContact CD2-CG 4.26Å
483	E	91.3	Very high	89.8	Confident	110 Å²	110	51.2 Å²	51.2	51%	0.514	26%	0.257	S	S	.	.	H	α-helix	trans	-57.4	-35.4	-173.4	-60.3	-54.4	140.4	0	0	113.7	G481 K486 R487	G481-E483 PolarHBondContact O-N 3.15Å; E483-K486 PolarHBondContact O-N 3.26Å; E483-K486 IonicContact OE1-NZ 3.88Å; E483-K486 PolarHBondContact OE1-NZ 3.26Å; E483-K486 IonicContact OE2-NZ 3.86Å; E483-R487 PolarHBondContact O-N 3.49Å
484	D	90.2	Very high	89.9	Confident	106 Å²	106	45.8 Å²	45.8	57%	0.567	23%	0.228	S	C	*	.	H	α-helix	trans	-66.7	-38.7	176.1	-65.7	-40.6	0	0	0	112	L482 R487 E488	L482-D484 VanDerWaalsContact C-N 3.25Å; L482-D484 PolarHBondContact O-N 2.82Å; D484-R487 PolarHBondContact O-N 3.5Å; D484-R487 IonicContact OD1-CZ 3.57Å; D484-R487 IonicContact OD1-NH1 3.92Å; D484-R487 PolarHBondContact OD1-NH1 2.78Å; D484-R487 IonicContact OD1-NH2 3.61Å; D484-R487 PolarHBondContact OD1-NH2 3.19Å; D484-E488 WeakPolarHBondContact O-CB 3.49Å; D484-E488 PolarHBondContact O-N 2.89Å
485	V	91.6	Very high	89.9	Confident	14 Å²	14	49.3 Å²	49.3	9%	0.085	24%	0.24	C	C	.	.	H	α-helix	trans	-69.9	-39.5	176.6	176.4	0	0	0	0	110.9	L482 R487 E488 L489 L527 I643	L482-V485 HydrophobicContact CB-CB 4.26Å; L482-V485 WeakPolarHBondContact O-CA 3.5Å; L482-V485 WeakPolarHBondContact O-CB 3.48Å; L482-V485 PolarHBondContact O-N 2.92Å; V485-R487 VanDerWaalsContact C-N 3.35Å; V485-E488 PolarHBondContact O-N 3.28Å; V485-L489 HydrophobicContact CG1-CD1 4.19Å; V485-L489 WeakPolarHBondContact O-CG 3.48Å; V485-L489 PolarHBondContact O-N 3.13Å; V485-L527 HydrophobicContact CG1-CD1 4.12Å; V485-I643 HydrophobicContact CB-CG2 4.48Å; V485-I643 HydrophobicContact CG1-CG2 3.59Å; V485-I643 HydrophobicContact CG2-CG2 4.18Å
486	K	92.3	Very high	89.6	Confident	16 Å²	16	48.1 Å²	48.1	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-48.4	174.8	-64.6	-179	-179.6	168	0	110.7	W476 I479 G481 L482 E483 L489 Q490 L527	W476-K486 HydrophobicContact CD2-CD 4.26Å; W476-K486 HydrophobicContact CD2-CG 4.4Å; W476-K486 HydrophobicContact CE3-CB 4.14Å; W476-K486 HydrophobicContact CE3-CD 3.7Å; W476-K486 HydrophobicContact CE3-CG 3.58Å; W476-K486 HydrophobicContact CH2-CB 4.41Å; W476-K486 HydrophobicContact CH2-CG 4.46Å; W476-K486 HydrophobicContact CZ3-CB 4.04Å; W476-K486 HydrophobicContact CZ3-CD 4.28Å; W476-K486 HydrophobicContact CZ3-CG 3.63Å; W476-K486 PolarHBondContact O-NZ 3.44Å; I479-K486 WeakPolarHBondContact O-CE 3.36Å; I479-K486 PolarHBondContact O-NZ 3.47Å; G481-K486 WeakPolarHBondContact O-CE 3.48Å; G481-K486 PolarHBondContact O-NZ 2.88Å; L482-K486 WeakPolarHBondContact O-CG 3.34Å; L482-K486 PolarHBondContact O-N 3.45Å; E483-K486 PolarHBondContact O-N 3.26Å; E483-K486 IonicContact OE1-NZ 3.88Å; E483-K486 PolarHBondContact OE1-NZ 3.26Å; E483-K486 IonicContact OE2-NZ 3.86Å; K486-L489 PolarHBondContact O-N 3.37Å; K486-Q490 WeakPolarHBondContact O-CG 3.11Å; K486-Q490 PolarHBondContact O-N 3.21Å; K486-L527 HydrophobicContact CG-CD2 4.33Å
487	R	92.3	Very high	89	Confident	123 Å²	123	49.7 Å²	49.7	46%	0.464	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-44.9	177.2	-174.9	175.3	63	-116.6	-6.6	111.9	E483 D484 V485 L489 Q490 E491	E483-R487 PolarHBondContact O-N 3.49Å; D484-R487 PolarHBondContact O-N 3.5Å; D484-R487 IonicContact OD1-CZ 3.57Å; D484-R487 IonicContact OD1-NH1 3.92Å; D484-R487 PolarHBondContact OD1-NH1 2.78Å; D484-R487 IonicContact OD1-NH2 3.61Å; D484-R487 PolarHBondContact OD1-NH2 3.19Å; V485-R487 VanDerWaalsContact C-N 3.35Å; R487-L489 VanDerWaalsContact C-N 3.29Å; R487-L489 PolarHBondContact O-N 2.93Å; R487-Q490 WeakPolarHBondContact O-CB 3.31Å; R487-Q490 PolarHBondContact O-N 3.28Å; R487-E491 WeakPolarHBondContact O-CG 3.42Å; R487-E491 PolarHBondContact O-N 3.2Å
488	E	91.3	Very high	88.7	Confident	73 Å²	73	48.8 Å²	48.8	34%	0.341	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-39.6	176.4	-171.7	176.1	-175.6	0	0	111.7	D484 V485 E491 L492 I643	D484-E488 WeakPolarHBondContact O-CB 3.49Å; D484-E488 PolarHBondContact O-N 2.89Å; V485-E488 PolarHBondContact O-N 3.28Å; E488-E491 PolarHBondContact O-N 2.99Å; E488-L492 HydrophobicContact CG-CD1 4.1Å; E488-L492 VanDerWaalsContact O-CG 3.25Å; E488-L492 WeakPolarHBondContact O-CG 3.21Å; E488-L492 PolarHBondContact O-N 3.39Å; E488-I643 HydrophobicContact CG-CD1 4.07Å
489	L	90.6	Very high	88.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-38	175.7	-75.5	171.5	0	0	0	113.5	W476 V485 K486 R487 E491 L492 V493 F516 L527 I531 I643	W476-L489 HydrophobicContact CH2-CB 4.4Å; W476-L489 HydrophobicContact CH2-CD1 4.25Å; V485-L489 HydrophobicContact CG1-CD1 4.19Å; V485-L489 WeakPolarHBondContact O-CG 3.48Å; V485-L489 PolarHBondContact O-N 3.13Å; K486-L489 PolarHBondContact O-N 3.37Å; R487-L489 VanDerWaalsContact C-N 3.29Å; R487-L489 PolarHBondContact O-N 2.93Å; L489-E491 VanDerWaalsContact C-N 3.31Å; L489-L492 PolarHBondContact O-N 3.38Å; L489-V493 WeakPolarHBondContact O-CB 3.38Å; L489-V493 WeakPolarHBondContact O-CG2 2.87Å; L489-V493 PolarHBondContact O-N 2.93Å; L489-F516 HydrophobicContact CD1-CE1 4.03Å; L489-F516 HydrophobicContact CD1-CZ 3.65Å; L489-F516 HydrophobicContact CD2-CE1 3.77Å; L489-F516 HydrophobicContact CD2-CZ 3.63Å; L489-F516 HydrophobicContact CG-CE1 4.31Å; L489-F516 HydrophobicContact CG-CZ 4.21Å; L489-L527 HydrophobicContact CD1-CB 4.28Å; L489-L527 HydrophobicContact CD1-CD2 4.47Å; L489-I531 HydrophobicContact CB-CD1 4.14Å; L489-I531 HydrophobicContact CB-CG1 4.29Å; L489-I643 HydrophobicContact CD2-CD1 3.99Å; L489-I643 HydrophobicContact CG-CD1 4.32Å
490	Q	90.2	Very high	88.2	Confident	49 Å²	49	52.3 Å²	52.3	23%	0.229	26%	0.258	C	S	.	.	I	π-helix	trans	-61	-43.1	172.7	-69	174.3	-34	0	0	110.8	W476 K486 R487 L492 Q494 Y495	W476-Q490 HydrophobicContact CZ2-CG 4.46Å; K486-Q490 WeakPolarHBondContact O-CG 3.11Å; K486-Q490 PolarHBondContact O-N 3.21Å; R487-Q490 WeakPolarHBondContact O-CB 3.31Å; R487-Q490 PolarHBondContact O-N 3.28Å; Q490-L492 VanDerWaalsContact C-N 3.31Å; Q490-L492 PolarHBondContact O-N 3.07Å; Q490-Q494 HydrophobicContact CB-CB 4.4Å; Q490-Q494 WeakPolarHBondContact O-CA 3.48Å; Q490-Q494 VanDerWaalsContact O-CB 3.23Å; Q490-Q494 WeakPolarHBondContact O-CB 3.2Å; Q490-Q494 PolarHBondContact O-N 2.87Å; Q490-Y495 PolarHBondContact O-N 2.9Å
491	E	89.3	Confident	88	Confident	89 Å²	89	56.6 Å²	56.6	42%	0.416	28%	0.279	S	S	.	.	I	π-helix	trans	-62.7	-37.2	177.2	-68.3	179.2	-167.3	0	0	112.9	R487 E488 L489 Y495	R487-E491 WeakPolarHBondContact O-CG 3.42Å; R487-E491 PolarHBondContact O-N 3.2Å; E488-E491 PolarHBondContact O-N 2.99Å; L489-E491 VanDerWaalsContact C-N 3.31Å; E491-Y495 HydrophobicContact CB-CD2 4.18Å; E491-Y495 HydrophobicContact CB-CE2 4.18Å; E491-Y495 HydrophobicContact CG-CD2 4.06Å; E491-Y495 HydrophobicContact CG-CE2 3.56Å
492	L	87.1	Confident	88	Confident	28 Å²	28	61.2 Å²	61.2	15%	0.147	30%	0.297	C	S	.	.	I	π-helix	trans	-84.2	-31.7	-176.4	-67.5	175	0	0	0	114.1	E488 L489 Q490 P496 V514 F618 Q641 I643	E488-L492 HydrophobicContact CG-CD1 4.1Å; E488-L492 VanDerWaalsContact O-CG 3.25Å; E488-L492 WeakPolarHBondContact O-CG 3.21Å; E488-L492 PolarHBondContact O-N 3.39Å; L489-L492 PolarHBondContact O-N 3.38Å; Q490-L492 VanDerWaalsContact C-N 3.31Å; Q490-L492 PolarHBondContact O-N 3.07Å; L492-P496 WeakPolarHBondContact O-CG 3.18Å; L492-V514 HydrophobicContact CD1-CG2 3.7Å; L492-F618 HydrophobicContact CB-CZ 4.42Å; L492-Q641 HydrophobicContact CD1-CB 4.02Å; L492-Q641 HydrophobicContact CD1-CG 3.98Å; L492-Q641 HydrophobicContact CD2-CG 3.93Å; L492-I643 HydrophobicContact CD1-CD1 4.01Å
493	V	85	Confident	87.8	Confident	8 Å²	8	62 Å²	62	5%	0.048	30%	0.3	C	S	.	.	I	π-helix	trans	-112.2	-49.6	-173.2	-170.8	0	0	0	0	112.2	L489 P496 V497 I531 F618	L489-V493 WeakPolarHBondContact O-CB 3.38Å; L489-V493 WeakPolarHBondContact O-CG2 2.87Å; L489-V493 PolarHBondContact O-N 2.93Å; V493-P496 WeakPolarHBondContact O-CD 3.45Å; V493-V497 VanDerWaalsContact O-CG2 3.3Å; V493-V497 WeakPolarHBondContact O-CG2 3.33Å; V493-I531 HydrophobicContact CB-CD1 4.08Å; V493-I531 HydrophobicContact CB-CG1 3.77Å; V493-I531 HydrophobicContact CG1-CG1 4.03Å; V493-I531 HydrophobicContact CG2-CG1 3.88Å; V493-F618 HydrophobicContact CG1-CB 4.48Å; V493-F618 HydrophobicContact CG1-CD1 4.3Å; V493-F618 HydrophobicContact CG1-CG 4.25Å; V493-F618 HydrophobicContact CG2-CD1 3.56Å; V493-F618 HydrophobicContact CG2-CD2 4.18Å; V493-F618 HydrophobicContact CG2-CE1 3.25Å; V493-F618 HydrophobicContact CG2-CE2 3.92Å; V493-F618 HydrophobicContact CG2-CG 4.01Å; V493-F618 HydrophobicContact CG2-CZ 3.44Å; V493-F618 VanDerWaalsContact CG2-CZ 3.44Å
494	Q	85.7	Confident	87.4	Confident	23 Å²	23	63.6 Å²	63.6	11%	0.107	31%	0.31	C	S	.	.	I	π-helix	trans	-74.1	-46.7	-173.5	-171.5	177.1	12.1	0	0	111.3	Q490 V497 E498	Q490-Q494 HydrophobicContact CB-CB 4.4Å; Q490-Q494 WeakPolarHBondContact O-CA 3.48Å; Q490-Q494 VanDerWaalsContact O-CB 3.23Å; Q490-Q494 WeakPolarHBondContact O-CB 3.2Å; Q490-Q494 PolarHBondContact O-N 2.87Å; Q494-V497 PolarHBondContact O-N 3.41Å; Q494-V497 VanDerWaalsContact O-N 3.07Å; Q494-E498 VanDerWaalsContact CG-CD 3.47Å; Q494-E498 HydrophobicContact CG-CG 4.08Å; Q494-E498 VanDerWaalsContact CG-OE1 3.31Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.24Å; Q494-E498 PolarHBondContact NE2-OE1 3.43Å; Q494-E498 PolarHBondContact O-N 3.38Å
495	Y	88.8	Confident	87.4	Confident	96 Å²	96	66.6 Å²	66.6	38%	0.376	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-41.3	-176.6	-67.4	-0.6	0	0	0	114.2	Q490 E491 V497 H499	Q490-Y495 PolarHBondContact O-N 2.9Å; E491-Y495 HydrophobicContact CB-CD2 4.18Å; E491-Y495 HydrophobicContact CB-CE2 4.18Å; E491-Y495 HydrophobicContact CG-CD2 4.06Å; E491-Y495 HydrophobicContact CG-CE2 3.56Å; Y495-V497 PolarHBondContact O-N 3.38Å; Y495-H499 CarbonylContact O-C 3.53Å; Y495-H499 WeakPolarHBondContact O-CA 3.36Å; Y495-H499 WeakPolarHBondContact O-CB 3.31Å; Y495-H499 PolarHBondContact O-N 2.86Å
496	P	83.5	Confident	87.4	Confident	24 Å²	24	72.7 Å²	72.7	16%	0.156	34%	0.344	C	S	.	.	H	α-helix	trans	-62.6	-28.4	174.6	-25.4	35.6	0	0	0	113.9	L492 V493 F503 P510	L492-P496 WeakPolarHBondContact O-CG 3.18Å; V493-P496 WeakPolarHBondContact O-CD 3.45Å; P496-F503 HydrophobicContact CB-CE2 4.28Å; P496-F503 HydrophobicContact CB-CZ 4.43Å; P496-F503 HydrophobicContact CG-CE1 4.3Å; P496-F503 HydrophobicContact CG-CE2 3.97Å; P496-F503 HydrophobicContact CG-CZ 3.73Å; P496-P510 HydrophobicContact CB-CB 3.8Å; P496-P510 HydrophobicContact CB-CG 4.12Å; P496-P510 HydrophobicContact CG-CB 3.71Å
497	V	79.8	Confident	87	Confident	60 Å²	60	75.2 Å²	75.2	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-82.9	-47.6	-178.9	175.6	0	0	0	0	111.1	V493 Q494 Y495	V493-V497 VanDerWaalsContact O-CG2 3.3Å; V493-V497 WeakPolarHBondContact O-CG2 3.33Å; Q494-V497 PolarHBondContact O-N 3.41Å; Q494-V497 VanDerWaalsContact O-N 3.07Å; Y495-V497 PolarHBondContact O-N 3.38Å
498	E	83.1	Confident	86.4	Confident	102 Å²	102	74.9 Å²	74.9	48%	0.477	38%	0.38	S	S	.	.	H	α-helix	trans	-82.8	-25.1	-176.9	-66.9	-176.9	-178.2	0	0	113.7	Q494 P500	Q494-E498 VanDerWaalsContact CG-CD 3.47Å; Q494-E498 HydrophobicContact CG-CG 4.08Å; Q494-E498 VanDerWaalsContact CG-OE1 3.31Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.24Å; Q494-E498 PolarHBondContact NE2-OE1 3.43Å; Q494-E498 PolarHBondContact O-N 3.38Å; E498-P500 VanDerWaalsContact C-CD 3.45Å
499	H	86.1	Confident	85.8	Confident	62 Å²	62	76.7 Å²	76.7	29%	0.287	40%	0.396	S	S	.	.			trans	-132.4	53.6	-174.9	-56	-43.6	0	0	0	114	Y495 D501 K502	Y495-H499 CarbonylContact O-C 3.53Å; Y495-H499 WeakPolarHBondContact O-CA 3.36Å; Y495-H499 WeakPolarHBondContact O-CB 3.31Å; Y495-H499 PolarHBondContact O-N 2.86Å; H499-D501 VanDerWaalsContact C-OD1 3.3Å; H499-D501 WeakPolarHBondContact CA-OD1 3.31Å; H499-D501 PolarHBondContact O-N 3.1Å; H499-K502 HydrophobicContact CB-CB 4.43Å; H499-K502 HydrophobicContact CB-CD 3.85Å; H499-K502 HydrophobicContact CB-CG 4.12Å; H499-K502 PolarHBondContact CD2-NZ 3.1Å; H499-K502 PolarHBondContact O-N 3.2Å
500	P	83.3	Confident	85.3	Confident	69 Å²	69	78.8 Å²	78.8	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-62.9	-27.9	-178.9	26.5	-35.2	0	0	0	113.1	E498 K502 F503 L504	E498-P500 VanDerWaalsContact C-CD 3.45Å; P500-K502 VanDerWaalsContact C-N 3.31Å; P500-K502 PolarHBondContact O-N 3.34Å; P500-F503 PolarHBondContact O-N 3.45Å; P500-L504 WeakPolarHBondContact O-CG 3.49Å; P500-L504 PolarHBondContact O-N 2.87Å; P500-L504 VanDerWaalsContact O-N 3.1Å
501	D	86.2	Confident	84.8	Confident	102 Å²	102	77.5 Å²	77.5	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-60.5	-38.2	176.8	66.5	-49	0	0	0	112.5	H499 L504 K505	H499-D501 VanDerWaalsContact C-OD1 3.3Å; H499-D501 WeakPolarHBondContact CA-OD1 3.31Å; H499-D501 PolarHBondContact O-N 3.1Å; D501-L504 PolarHBondContact O-N 3.49Å; D501-K505 WeakPolarHBondContact O-CB 3.4Å; D501-K505 PolarHBondContact O-N 3.38Å
502	K	90.2	Very high	84.2	Confident	102 Å²	102	75.6 Å²	75.6	44%	0.443	40%	0.397	S	S	.	.	H	α-helix	trans	-65.8	-43.9	177.7	-63.9	-177.7	-171.9	162.2	0	111	H499 P500 K505 F506	H499-K502 HydrophobicContact CB-CB 4.43Å; H499-K502 HydrophobicContact CB-CD 3.85Å; H499-K502 HydrophobicContact CB-CG 4.12Å; H499-K502 PolarHBondContact CD2-NZ 3.1Å; H499-K502 PolarHBondContact O-N 3.2Å; P500-K502 VanDerWaalsContact C-N 3.31Å; P500-K502 PolarHBondContact O-N 3.34Å; K502-K505 WeakPolarHBondContact O-CB 3.41Å; K502-K505 PolarHBondContact O-N 2.75Å; K502-F506 WeakPolarHBondContact O-CD2 3.48Å; K502-F506 PolarHBondContact O-N 3.33Å
503	F	85.2	Confident	84.3	Confident	47 Å²	47	74.3 Å²	74.3	21%	0.206	39%	0.39	C	S	.	.	H	α-helix	trans	-64.4	-42.4	178.2	-77.9	-95.3	0	0	0	112	P496 P500 K505 F506 G507 M508 P510	P496-F503 HydrophobicContact CB-CE2 4.28Å; P496-F503 HydrophobicContact CB-CZ 4.43Å; P496-F503 HydrophobicContact CG-CE1 4.3Å; P496-F503 HydrophobicContact CG-CE2 3.97Å; P496-F503 HydrophobicContact CG-CZ 3.73Å; P500-F503 PolarHBondContact O-N 3.45Å; F503-K505 PolarHBondContact O-N 3Å; F503-F506 PolarHBondContact O-N 2.79Å; F503-G507 PolarHBondContact O-N 2.73Å; F503-M508 PolarHBondContact O-N 2.69Å; F503-M508 VanDerWaalsContact O-N 3.11Å; F503-P510 HydrophobicContact CD1-CB 4.39Å; F503-P510 HydrophobicContact CE1-CB 4.26Å
504	L	84.4	Confident	84.6	Confident	142 Å²	142	73.9 Å²	73.9	74%	0.743	39%	0.387	S	S	*	.	H	α-helix	trans	-60.8	-42.9	174	-71.2	170.4	0	0	0	112.1	P500 D501 F506 G507	P500-L504 WeakPolarHBondContact O-CG 3.49Å; P500-L504 PolarHBondContact O-N 2.87Å; P500-L504 VanDerWaalsContact O-N 3.1Å; D501-L504 PolarHBondContact O-N 3.49Å; L504-F506 VanDerWaalsContact C-N 3.28Å; L504-F506 PolarHBondContact O-N 2.87Å; L504-G507 PolarHBondContact O-N 2.9Å; L504-G507 VanDerWaalsContact O-N 3.11Å
505	K	90.5	Very high	85	Confident	170 Å²	170	73 Å²	73	74%	0.739	38%	0.383	S	S	*	.	H	α-helix	trans	-58.6	-38.7	177.9	-179.2	-177.9	178.7	-179.3	0	112.6	D501 K502 F503	D501-K505 WeakPolarHBondContact O-CB 3.4Å; D501-K505 PolarHBondContact O-N 3.38Å; K502-K505 WeakPolarHBondContact O-CB 3.41Å; K502-K505 PolarHBondContact O-N 2.75Å; F503-K505 PolarHBondContact O-N 3Å
506	F	90.3	Very high	85.3	Confident	141 Å²	141	68.4 Å²	68.4	62%	0.618	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	2.5	179.2	-67.3	-71	0	0	0	113.6	K502 F503 L504 M508	K502-F506 WeakPolarHBondContact O-CD2 3.48Å; K502-F506 PolarHBondContact O-N 3.33Å; F503-F506 PolarHBondContact O-N 2.79Å; L504-F506 VanDerWaalsContact C-N 3.28Å; L504-F506 PolarHBondContact O-N 2.87Å; F506-M508 HydrophobicContact CB-CE 4.08Å; F506-M508 HydrophobicContact CB-CG 4.4Å; F506-M508 PolarHBondContact O-N 2.81Å
507	G	84	Confident	85.7	Confident	69 Å²	69	67.6 Å²	67.6	71%	0.711	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	19.8	-179.9	0	0	0	0	0	114.1	F503 L504	F503-G507 PolarHBondContact O-N 2.73Å; L504-G507 PolarHBondContact O-N 2.9Å; L504-G507 VanDerWaalsContact O-N 3.11Å
508	M	80.6	Confident	86.3	Confident	116 Å²	116	64.7 Å²	64.7	57%	0.571	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-96.8	129.4	-178.3	-69.2	-164	-67.6	0	0	110.1	F503 F506	F503-M508 PolarHBondContact O-N 2.69Å; F503-M508 VanDerWaalsContact O-N 3.11Å; F506-M508 HydrophobicContact CB-CE 4.08Å; F506-M508 HydrophobicContact CB-CG 4.4Å; F506-M508 PolarHBondContact O-N 2.81Å
509	T	77.5	Confident	86.7	Confident	111 Å²	111	59.9 Å²	59.9	68%	0.681	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-83.6	132.2	167.5	49.4	0	0	0	0	109.6
510	P	80.4	Confident	87	Confident	44 Å²	44	59.4 Å²	59.4	29%	0.286	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-62.2	151.7	175.6	27.8	-34.8	0	0	0	110.9	P496 F503	P496-P510 HydrophobicContact CB-CB 3.8Å; P496-P510 HydrophobicContact CB-CG 4.12Å; P496-P510 HydrophobicContact CG-CB 3.71Å; F503-P510 HydrophobicContact CD1-CB 4.39Å; F503-P510 HydrophobicContact CE1-CB 4.26Å
511	S	79.8	Confident	87.2	Confident	23 Å²	23	57.7 Å²	57.7	16%	0.161	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-63.1	140.5	173.4	47	0	0	0	0	110.5	D640	S511-D640 WeakPolarHBondContact CB-OD1 3.41Å
512	K	77.6	Confident	87.5	Confident	49 Å²	49	53.3 Å²	53.3	21%	0.213	29%	0.294	C	S	.	.	S	Bend	trans	-79.9	-23.3	-176.5	-62.5	-160.7	-163.6	174	0	113.6	M608 M611 I619 G637	K512-M608 PolarHBondContact NZ-O 2.81Å; K512-M611 WeakPolarHBondContact CE-O 3.5Å; K512-M611 PolarHBondContact NZ-O 3.34Å; K512-I619 PolarHBondContact O-N 3.4Å; K512-G637 WeakPolarHBondContact CD-O 3.34Å
513	G	87.7	Confident	87.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	164.1	-178.7	0	0	0	0	0	116.3	I619 R638 D640 Q641	G513-I619 CarbonylContact C-O 3.36Å; G513-I619 WeakPolarHBondContact CA-O 3.07Å; G513-R638 PolarHBondContact N-O 3.09Å; G513-D640 PolarHBondContact O-N 3.06Å; G513-Q641 PolarHBondContact O-N 3.15Å
514	V	92.5	Very high	87.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.5	-177.2	168.2	0	0	0	0	109.4	L492 F516 F618 I619 I620 G621 Q641 I643	L492-V514 HydrophobicContact CD1-CG2 3.7Å; V514-F516 HydrophobicContact CG1-CD1 3.72Å; V514-F516 HydrophobicContact CG1-CE1 3.55Å; V514-F516 HydrophobicContact CG1-CZ 4.29Å; V514-F618 HydrophobicContact CB-CE1 4.3Å; V514-F618 HydrophobicContact CB-CZ 4.24Å; V514-F618 HydrophobicContact CG2-CE1 3.99Å; V514-F618 HydrophobicContact CG2-CZ 3.52Å; V514-I619 PolarHBondContact N-O 3Å; V514-I620 CarbonylContact O-C 3.48Å; V514-I620 WeakPolarHBondContact O-CA 3.3Å; V514-G621 PolarHBondContact O-N 3.29Å; V514-Q641 CarbonylContact C-O 3.47Å; V514-Q641 VanDerWaalsContact CA-O 3.29Å; V514-Q641 WeakPolarHBondContact CA-O 3.16Å; V514-Q641 HydrophobicContact CB-CB 4.4Å; V514-Q641 HydrophobicContact CG2-CB 3.68Å; V514-Q641 HydrophobicContact CG2-CG 4.44Å; V514-I643 HydrophobicContact CG1-CB 4.2Å; V514-I643 HydrophobicContact CG1-CD1 3.73Å; V514-I643 HydrophobicContact CG1-CG1 3.91Å; V514-I643 HydrophobicContact CG2-CD1 4.34Å
515	L	93	Very high	88.2	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.7	164.3	-176.5	73.1	0	0	0	109.9	L579 G621 T623 I629 L634 L639 Q641 L642 I643	L515-L579 HydrophobicContact CD1-CD1 3.99Å; L515-G621 CarbonylContact C-O 3.43Å; L515-G621 WeakPolarHBondContact CA-O 3.34Å; L515-T623 HydrophobicContact CD1-CG2 4.25Å; L515-T623 HydrophobicContact CD2-CG2 4.37Å; L515-T623 HydrophobicContact CG-CG2 4.43Å; L515-I629 HydrophobicContact CD1-CD1 3.96Å; L515-I629 HydrophobicContact CD2-CD1 3.77Å; L515-L634 HydrophobicContact CD2-CD2 3.43Å; L515-L634 VanDerWaalsContact CD2-CD2 3.43Å; L515-L639 HydrophobicContact CB-CB 4.08Å; L515-L639 HydrophobicContact CB-CD1 4.08Å; L515-L639 HydrophobicContact CD1-CD1 3.83Å; L515-Q641 PolarHBondContact N-O 2.87Å; L515-L642 HydrophobicContact CB-CD2 3.75Å; L515-L642 HydrophobicContact CD2-CD2 3.87Å; L515-L642 HydrophobicContact CG-CD2 4.36Å; L515-I643 PolarHBondContact O-N 2.63Å
516	F	95.1	Very high	88.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.8	165.4	-66.1	-31.1	0	0	0	110.7	L489 V514 K524 L527 A528 F575 I620 G621 A622 T623 I643 I645	L489-F516 HydrophobicContact CD1-CE1 4.03Å; L489-F516 HydrophobicContact CD1-CZ 3.65Å; L489-F516 HydrophobicContact CD2-CE1 3.77Å; L489-F516 HydrophobicContact CD2-CZ 3.63Å; L489-F516 HydrophobicContact CG-CE1 4.31Å; L489-F516 HydrophobicContact CG-CZ 4.21Å; V514-F516 HydrophobicContact CG1-CD1 3.72Å; V514-F516 HydrophobicContact CG1-CE1 3.55Å; V514-F516 HydrophobicContact CG1-CZ 4.29Å; F516-K524 HydrophobicContact CB-CB 4.29Å; F516-K524 HydrophobicContact CB-CD 3.96Å; F516-K524 HydrophobicContact CB-CG 4.22Å; F516-K524 HydrophobicContact CD2-CB 4.44Å; F516-L527 HydrophobicContact CE2-CB 4.26Å; F516-L527 HydrophobicContact CZ-CB 4.36Å; F516-A528 HydrophobicContact CE2-CB 4.1Å; F516-F575 HydrophobicContact CD2-CE2 4.39Å; F516-I620 HydrophobicContact CD2-CG2 3.5Å; F516-I620 HydrophobicContact CE2-CD1 4.38Å; F516-I620 HydrophobicContact CE2-CG2 3.36Å; F516-I620 HydrophobicContact CG-CG2 4.26Å; F516-I620 HydrophobicContact CZ-CD1 4.45Å; F516-I620 HydrophobicContact CZ-CG2 4.01Å; F516-G621 PolarHBondContact N-O 2.93Å; F516-A622 HydrophobicContact CB-CB 4.24Å; F516-A622 WeakPolarHBondContact O-CA 3.32Å; F516-T623 PolarHBondContact O-N 3.07Å; F516-I643 HydrophobicContact CD1-CB 3.93Å; F516-I643 HydrophobicContact CD1-CG2 4.05Å; F516-I643 HydrophobicContact CE1-CB 4.18Å; F516-I643 HydrophobicContact CE1-CD1 4.15Å; F516-I643 HydrophobicContact CE1-CG2 4.15Å; F516-I645 HydrophobicContact CB-CD1 3.86Å; F516-I645 HydrophobicContact CD1-CD1 3.68Å; F516-I645 HydrophobicContact CD2-CD1 4.35Å; F516-I645 HydrophobicContact CE1-CD1 4.32Å; F516-I645 HydrophobicContact CG-CD1 3.72Å
517	Y	93.1	Very high	88.4	Confident	6 Å²	6	31.8 Å²	31.8	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.2	171.9	71.9	-81.6	0	0	0	111.5	T623 P626 L642 I643 Y644 I645 F758 A759 L762	Y517-T623 WeakPolarHBondContact CA-O 3.42Å; Y517-P626 HydrophobicContact CD2-CB 4.3Å; Y517-P626 HydrophobicContact CD2-CG 3.98Å; Y517-P626 HydrophobicContact CG-CB 4.29Å; Y517-P626 HydrophobicContact CG-CG 4.42Å; Y517-L642 HydrophobicContact CE1-CB 4.01Å; Y517-I643 WeakPolarHBondContact CD1-O 3.5Å; Y517-I643 PolarHBondContact N-O 3.33Å; Y517-I643 VanDerWaalsContact N-O 3.07Å; Y517-Y644 AromaticContact CD2-CD2 3.85Å; Y517-Y644 HydrophobicContact CD2-CD2 3.85Å; Y517-Y644 AromaticContact CE2-CD2 3.52Å; Y517-Y644 HydrophobicContact CE2-CD2 3.52Å; Y517-Y644 HydrophobicContact CE2-CE2 4.42Å; Y517-Y644 HydrophobicContact CE2-CG 4.05Å; Y517-Y644 WeakPolarHBondContact O-CA 3.43Å; Y517-I645 PolarHBondContact O-N 3.32Å; Y517-F758 HydrophobicContact CD2-CD1 4.16Å; Y517-F758 HydrophobicContact CD2-CE1 4.32Å; Y517-F758 AromaticContact CE2-CD1 3.91Å; Y517-F758 HydrophobicContact CE2-CD1 3.91Å; Y517-F758 HydrophobicContact CE2-CE1 4.28Å; Y517-A759 HydrophobicContact CE2-CB 4.28Å; Y517-L762 HydrophobicContact CE1-CD1 4.23Å; Y517-L762 HydrophobicContact CE2-CD1 4.38Å
518	G	92.3	Very high	88.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	155.9	-175	-179.5	0	0	0	0	0	112	K524 I645	G518-K524 PolarHBondContact O-NZ 3.32Å; G518-I645 WeakPolarHBondContact CA-O 3.37Å
519	P	91.9	Very high	89.3	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	16%	0.157	C	C	.	.	S	Bend	trans	-60.9	153.1	-179.2	0.2	11.5	0	0	0	111.8	K524 I645 L647 V747 Y755	P519-K524 PolarHBondContact O-NZ 2.99Å; P519-I645 WeakPolarHBondContact CD-O 3.01Å; P519-L647 HydrophobicContact CB-CD2 4.3Å; P519-L647 HydrophobicContact CB-CG 4.49Å; P519-L647 HydrophobicContact CG-CD2 4.16Å; P519-L647 HydrophobicContact CG-CG 3.9Å; P519-V747 HydrophobicContact CB-CG1 4.14Å; P519-V747 HydrophobicContact CB-CG2 3.79Å; P519-Y755 HydrophobicContact CB-CD2 4.41Å; P519-Y755 HydrophobicContact CB-CE2 4.03Å; P519-Y755 HydrophobicContact CG-CD2 4.28Å; P519-Y755 HydrophobicContact CG-CE2 4.38Å
520	P	90.7	Very high	90	Very high	51 Å²	51	20.5 Å²	20.5	33%	0.331	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	152.3	172.2	27.6	-34.5	0	0	0	111	C522 N624 V747	P520-C522 VanDerWaalsContact C-N 3.33Å; P520-C522 PolarHBondContact O-N 2.95Å; P520-N624 VanDerWaalsContact CA-OD1 3.32Å; P520-N624 WeakPolarHBondContact CA-OD1 3.42Å; P520-V747 HydrophobicContact CG-CG2 4.41Å
521	G	88.8	Confident	90.6	Very high	33 Å²	33	18.4 Å²	18.4	34%	0.34	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	15.9	173.8	0	0	0	0	0	116.3	G684 A685	G521-G684 CarbonylContact O-C 3.53Å; G521-G684 WeakPolarHBondContact O-CA 3.36Å; G521-G684 PolarHBondContact O-N 3.31Å; G521-A685 PolarHBondContact O-N 2.74Å
522	C	91.6	Very high	91.1	Very high	11 Å²	11	17.3 Å²	17.3	7%	0.074	10%	0.104	C	C	.	.	S	Bend	trans	-99.4	16	-179.2	-58.5	0	0	0	0	114.4	P520 I645	P520-C522 VanDerWaalsContact C-N 3.33Å; P520-C522 PolarHBondContact O-N 2.95Å; C522-I645 HydrophobicContact CB-CG2 3.76Å; C522-I645 WeakPolarHBondContact O-CG2 3.45Å
523	G	89.1	Confident	91.6	Very high	18 Å²	18	16.2 Å²	16.2	19%	0.186	10%	0.1	C	C	.	.	S	Bend	trans	86.4	16.1	173.5	0	0	0	0	0	116.5	T525 L526 L527	G523-T525 PolarHBondContact O-N 3.08Å; G523-L526 PolarHBondContact O-N 3.39Å; G523-L526 VanDerWaalsContact O-N 3.09Å; G523-L527 WeakPolarHBondContact O-CG 3.3Å; G523-L527 PolarHBondContact O-N 2.88Å
524	K	93.2	Very high	91.6	Very high	11 Å²	11	19.9 Å²	19.9	5%	0.048	12%	0.117	C	C	.	.	H	α-helix	trans	-52.1	-49.6	176.6	-61.6	-167.9	-80.7	-83.7	0	112.9	F516 G518 P519 L527 A528 A622 T623 N624 I645	F516-K524 HydrophobicContact CB-CB 4.29Å; F516-K524 HydrophobicContact CB-CD 3.96Å; F516-K524 HydrophobicContact CB-CG 4.22Å; F516-K524 HydrophobicContact CD2-CB 4.44Å; G518-K524 PolarHBondContact O-NZ 3.32Å; P519-K524 PolarHBondContact O-NZ 2.99Å; K524-L527 PolarHBondContact O-N 3.19Å; K524-A528 PolarHBondContact O-N 2.9Å; K524-A622 HydrophobicContact CB-CB 4.25Å; K524-A622 HydrophobicContact CD-CB 4.4Å; K524-T623 WeakPolarHBondContact CE-O 3.31Å; K524-N624 WeakPolarHBondContact CE-OD1 3.23Å; K524-N624 PolarHBondContact NZ-OD1 2.99Å; K524-I645 HydrophobicContact CB-CD1 4.28Å; K524-I645 HydrophobicContact CD-CD1 4.45Å; K524-I645 HydrophobicContact CG-CB 4.35Å; K524-I645 HydrophobicContact CG-CD1 3.67Å; K524-I645 HydrophobicContact CG-CG2 4.41Å
525	T	91.8	Very high	91.2	Very high	47 Å²	47	20.9 Å²	20.9	29%	0.288	12%	0.124	S	C	.	.	H	α-helix	trans	-67	-35.9	177.6	-44.8	0	0	0	0	112.2	G523 K529 F575 D577	G523-T525 PolarHBondContact O-N 3.08Å; T525-K529 WeakPolarHBondContact O-CG 3.28Å; T525-K529 PolarHBondContact O-N 3.35Å; T525-F575 HydrophobicContact CG2-CE1 3.76Å; T525-F575 HydrophobicContact CG2-CZ 4.31Å; T525-D577 PolarHBondContact OG1-OD2 2.97Å
526	L	92.1	Very high	90.7	Very high	73 Å²	73	27 Å²	27	38%	0.382	15%	0.152	S	C	.	.	H	α-helix	trans	-67.1	-43.4	177.3	-64.2	174.8	0	0	0	111	I474 I479 G523 A528 K529 A530	I474-L526 HydrophobicContact CD1-CD2 3.56Å; I479-L526 VanDerWaalsContact CD1-C 3.45Å; I479-L526 HydrophobicContact CD1-CB 3.9Å; I479-L526 WeakPolarHBondContact CD1-O 3.29Å; I479-L526 HydrophobicContact CG1-CB 4.07Å; G523-L526 PolarHBondContact O-N 3.39Å; G523-L526 VanDerWaalsContact O-N 3.09Å; L526-A528 VanDerWaalsContact C-N 3.33Å; L526-A528 PolarHBondContact O-N 3.36Å; L526-K529 PolarHBondContact O-N 3.16Å; L526-K529 VanDerWaalsContact O-N 3.16Å; L526-A530 WeakPolarHBondContact O-CB 3.47Å; L526-A530 PolarHBondContact O-N 2.93Å
527	L	93.7	Very high	90.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.4	-43.1	176.9	-74.6	168.8	0	0	0	111.9	W476 I479 L482 V485 K486 L489 F516 G523 K524 K529 A530 I531 I645	W476-L527 HydrophobicContact CZ3-CD2 3.82Å; I479-L527 HydrophobicContact CD1-CD2 3.87Å; I479-L527 HydrophobicContact CD1-CG 4.18Å; I479-L527 HydrophobicContact CG2-CD2 4.05Å; L482-L527 HydrophobicContact CD1-CD1 3.95Å; V485-L527 HydrophobicContact CG1-CD1 4.12Å; K486-L527 HydrophobicContact CG-CD2 4.33Å; L489-L527 HydrophobicContact CD1-CB 4.28Å; L489-L527 HydrophobicContact CD1-CD2 4.47Å; F516-L527 HydrophobicContact CE2-CB 4.26Å; F516-L527 HydrophobicContact CZ-CB 4.36Å; G523-L527 WeakPolarHBondContact O-CG 3.3Å; G523-L527 PolarHBondContact O-N 2.88Å; K524-L527 PolarHBondContact O-N 3.19Å; L527-K529 VanDerWaalsContact C-N 3.3Å; L527-K529 PolarHBondContact O-N 3.11Å; L527-A530 PolarHBondContact O-N 3.42Å; L527-I531 WeakPolarHBondContact O-CG2 3.49Å; L527-I531 PolarHBondContact O-N 2.74Å; L527-I645 HydrophobicContact CD1-CD1 3.5Å; L527-I645 HydrophobicContact CD1-CG1 4.04Å
528	A	92.3	Very high	89.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-38.7	176.7	0	0	0	0	0	112.3	F516 K524 L526 I531 A532 F539 F575 I620	F516-A528 HydrophobicContact CE2-CB 4.1Å; K524-A528 PolarHBondContact O-N 2.9Å; L526-A528 VanDerWaalsContact C-N 3.33Å; L526-A528 PolarHBondContact O-N 3.36Å; A528-I531 VanDerWaalsContact O-CG2 3.3Å; A528-I531 WeakPolarHBondContact O-CG2 3.47Å; A528-A532 PolarHBondContact O-N 3.37Å; A528-F539 HydrophobicContact CB-CE2 3.9Å; A528-F539 HydrophobicContact CB-CZ 4.17Å; A528-F539 WeakPolarHBondContact O-CE2 3.44Å; A528-F575 HydrophobicContact CB-CD1 4.41Å; A528-F575 HydrophobicContact CB-CD2 3.4Å; A528-F575 HydrophobicContact CB-CE2 3.52Å; A528-F575 HydrophobicContact CB-CG 3.88Å; A528-F575 HydrophobicContact CB-CZ 4.11Å; A528-I620 HydrophobicContact CB-CD1 4.3Å; A528-I620 HydrophobicContact CB-CG2 4.4Å
529	K	91.8	Very high	89.7	Confident	60 Å²	60	28.6 Å²	28.6	26%	0.261	16%	0.161	S	C	.	.	H	α-helix	trans	-70.6	-42.2	175.8	-73.6	-177.2	174	-163.7	0	112.2	P472 I474 T525 L526 L527 A532 N533 F539	P472-K529 HydrophobicContact CB-CB 3.81Å; P472-K529 HydrophobicContact CB-CG 4.15Å; P472-K529 HydrophobicContact CG-CB 4.15Å; P472-K529 HydrophobicContact CG-CG 4.23Å; I474-K529 HydrophobicContact CB-CB 4.1Å; I474-K529 HydrophobicContact CD1-CB 3.96Å; I474-K529 HydrophobicContact CD1-CD 3.49Å; I474-K529 VanDerWaalsContact CD1-CD 3.49Å; I474-K529 HydrophobicContact CD1-CG 4.37Å; I474-K529 HydrophobicContact CG1-CB 4.29Å; I474-K529 HydrophobicContact CG1-CD 4.32Å; T525-K529 WeakPolarHBondContact O-CG 3.28Å; T525-K529 PolarHBondContact O-N 3.35Å; L526-K529 PolarHBondContact O-N 3.16Å; L526-K529 VanDerWaalsContact O-N 3.16Å; L527-K529 VanDerWaalsContact C-N 3.3Å; L527-K529 PolarHBondContact O-N 3.11Å; K529-A532 PolarHBondContact O-N 3.22Å; K529-N533 PolarHBondContact O-N 2.9Å; K529-F539 HydrophobicContact CD-CE1 4.35Å; K529-F539 HydrophobicContact CG-CD1 4.18Å; K529-F539 HydrophobicContact CG-CE1 3.58Å; K529-F539 HydrophobicContact CG-CE2 4.23Å; K529-F539 HydrophobicContact CG-CZ 3.62Å
530	A	92.6	Very high	89.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-43.3	-179.6	0	0	0	0	0	112.8	I474 W476 I479 L526 L527 A532 N533 E534	I474-A530 HydrophobicContact CG2-CB 4.39Å; I474-A530 WeakPolarHBondContact O-CA 3.45Å; W476-A530 HydrophobicContact CD2-CB 4.18Å; W476-A530 HydrophobicContact CE3-CB 3.77Å; W476-A530 HydrophobicContact CH2-CB 4.36Å; W476-A530 HydrophobicContact CZ3-CB 3.87Å; I479-A530 HydrophobicContact CD1-CB 3.52Å; L526-A530 WeakPolarHBondContact O-CB 3.47Å; L526-A530 PolarHBondContact O-N 2.93Å; L527-A530 PolarHBondContact O-N 3.42Å; A530-A532 VanDerWaalsContact C-N 3.3Å; A530-A532 PolarHBondContact O-N 2.94Å; A530-N533 PolarHBondContact O-N 3.31Å; A530-E534 PolarHBondContact O-N 2.86Å
531	I	92.1	Very high	89.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-34	176.8	-171	61.3	0	0	0	112.2	W476 L489 V493 L527 A528 C535 I620	W476-I531 HydrophobicContact CH2-CB 3.91Å; W476-I531 HydrophobicContact CH2-CD1 4.19Å; W476-I531 HydrophobicContact CZ2-CB 4.04Å; W476-I531 HydrophobicContact CZ2-CD1 3.72Å; W476-I531 HydrophobicContact CZ2-CG1 4.47Å; L489-I531 HydrophobicContact CB-CD1 4.14Å; L489-I531 HydrophobicContact CB-CG1 4.29Å; V493-I531 HydrophobicContact CB-CD1 4.08Å; V493-I531 HydrophobicContact CB-CG1 3.77Å; V493-I531 HydrophobicContact CG1-CG1 4.03Å; V493-I531 HydrophobicContact CG2-CG1 3.88Å; L527-I531 WeakPolarHBondContact O-CG2 3.49Å; L527-I531 PolarHBondContact O-N 2.74Å; A528-I531 VanDerWaalsContact O-CG2 3.3Å; A528-I531 WeakPolarHBondContact O-CG2 3.47Å; I531-C535 WeakPolarHBondContact O-CB 3.47Å; I531-C535 PolarHBondContact O-N 3.42Å; I531-C535 VanDerWaalsContact O-N 3.14Å; I531-C535 PolarHBondContact O-SG 3.19Å; I531-C535 VanDerWaalsContact O-SG 3.37Å; I531-I620 HydrophobicContact CG2-CD1 4.01Å
532	A	90.1	Very high	89.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.9	-41.9	175.7	0	0	0	0	0	111.7	P472 A528 K529 A530 C535 Q536 A537 F539 V573	P472-A532 HydrophobicContact CG-CB 4.03Å; A528-A532 PolarHBondContact O-N 3.37Å; K529-A532 PolarHBondContact O-N 3.22Å; A530-A532 VanDerWaalsContact C-N 3.3Å; A530-A532 PolarHBondContact O-N 2.94Å; A532-C535 PolarHBondContact O-N 3.27Å; A532-Q536 PolarHBondContact O-N 3.36Å; A532-A537 PolarHBondContact O-N 3.43Å; A532-F539 HydrophobicContact CB-CB 4.06Å; A532-F539 HydrophobicContact CB-CD2 3.73Å; A532-F539 HydrophobicContact CB-CG 4.29Å; A532-V573 HydrophobicContact CB-CB 4.08Å; A532-V573 HydrophobicContact CB-CG2 3.88Å
533	N	88.9	Confident	89.2	Confident	25 Å²	25	30.9 Å²	30.9	13%	0.134	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-43.8	175.3	-172.3	22.7	0	0	0	112.2	P472 I474 T475 K529 A530 C535 Q536	P472-N533 VanDerWaalsContact O-CB 3.29Å; P472-N533 WeakPolarHBondContact O-CB 3.2Å; P472-N533 PolarHBondContact O-OD1 3.12Å; I474-N533 WeakPolarHBondContact O-CB 3.43Å; I474-N533 PolarHBondContact O-ND2 2.96Å; T475-N533 WeakPolarHBondContact CG2-ND2 3.17Å; K529-N533 PolarHBondContact O-N 2.9Å; A530-N533 PolarHBondContact O-N 3.31Å; N533-C535 VanDerWaalsContact C-N 3.27Å; N533-C535 PolarHBondContact O-N 3.2Å; N533-Q536 PolarHBondContact O-N 3.03Å; N533-Q536 PolarHBondContact O-NE2 3.15Å; N533-Q536 PolarHBondContact OD1-NE2 3.3Å
534	E	88	Confident	88.6	Confident	78 Å²	78	30.1 Å²	30.1	36%	0.364	15%	0.153	S	C	.	.	H	α-helix	trans	-58	-41.3	177.5	-169	69.1	-172.5	0	0	111.7	W476 A530 Q536	W476-E534 HydrophobicContact CZ2-CB 4.45Å; W476-E534 VanDerWaalsContact NE1-CD 3.34Å; W476-E534 PolarHBondContact NE1-OE2 2.94Å; A530-E534 PolarHBondContact O-N 2.86Å; E534-Q536 PolarHBondContact O-N 3.26Å
535	C	84.1	Confident	87.7	Confident	21 Å²	21	32.4 Å²	32.4	14%	0.142	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	0.5	177	-65.9	0	0	0	0	113.9	I531 A532 N533 A537	I531-C535 WeakPolarHBondContact O-CB 3.47Å; I531-C535 PolarHBondContact O-N 3.42Å; I531-C535 VanDerWaalsContact O-N 3.14Å; I531-C535 PolarHBondContact O-SG 3.19Å; I531-C535 VanDerWaalsContact O-SG 3.37Å; A532-C535 PolarHBondContact O-N 3.27Å; N533-C535 VanDerWaalsContact C-N 3.27Å; N533-C535 PolarHBondContact O-N 3.2Å; C535-A537 HydrophobicContact CB-CB 4.05Å; C535-A537 PolarHBondContact O-N 3.46Å; C535-A537 VanDerWaalsContact O-N 3.13Å
536	Q	81.8	Confident	86.7	Confident	132 Å²	132	33.6 Å²	33.6	62%	0.617	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.1	39.3	-170.4	-65.7	-67.6	-62.8	0	0	112.2	A532 N533 E534	A532-Q536 PolarHBondContact O-N 3.36Å; N533-Q536 PolarHBondContact O-N 3.03Å; N533-Q536 PolarHBondContact O-NE2 3.15Å; N533-Q536 PolarHBondContact OD1-NE2 3.3Å; E534-Q536 PolarHBondContact O-N 3.26Å
537	A	84.6	Confident	85.8	Confident	5 Å²	5	30.2 Å²	30.2	4%	0.041	15%	0.153	C	C	.	.			trans	-100.3	149	-175.8	0	0	0	0	0	110.8	A532 C535 P571 V573	A532-A537 PolarHBondContact O-N 3.43Å; C535-A537 HydrophobicContact CB-CB 4.05Å; C535-A537 PolarHBondContact O-N 3.46Å; C535-A537 VanDerWaalsContact O-N 3.13Å; A537-P571 HydrophobicContact CB-CB 4.33Å; A537-V573 HydrophobicContact CB-CG2 4.43Å
538	N	84.9	Confident	84.4	Confident	28 Å²	28	34.1 Å²	34.1	15%	0.15	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	145	172.4	-69.2	-49.3	0	0	0	110.2	V469 A569 P571 C572 V573	V469-N538 HydrophobicContact CG1-CB 3.7Å; N538-A569 HydrophobicContact CB-CB 4.13Å; N538-A569 PolarHBondContact ND2-O 2.91Å; N538-P571 PolarHBondContact N-O 3.37Å; N538-C572 HydrophobicContact CB-CB 4.29Å; N538-C572 CarbonylContact O-C 3.5Å; N538-C572 VanDerWaalsContact O-CA 3.26Å; N538-C572 WeakPolarHBondContact O-CA 3.42Å; N538-C572 PolarHBondContact O-SG 3.47Å; N538-V573 PolarHBondContact O-N 2.94Å
539	F	89.4	Confident	82.8	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.5	179.5	-174.8	-103.5	0	0	0	110.4	E470 P472 A528 K529 A532 V573 F575	E470-F539 PolarHBondContact N-O 3.23Å; E470-F539 WeakPolarHBondContact O-CA 3.41Å; E470-F539 WeakPolarHBondContact O-CB 3.4Å; E470-F539 PolarHBondContact O-N 3.4Å; P472-F539 VanDerWaalsContact CD-CB 3.49Å; P472-F539 HydrophobicContact CG-CB 3.33Å; P472-F539 HydrophobicContact CG-CD1 3.9Å; P472-F539 HydrophobicContact CG-CD2 4.18Å; P472-F539 HydrophobicContact CG-CG 3.57Å; A528-F539 HydrophobicContact CB-CE2 3.9Å; A528-F539 HydrophobicContact CB-CZ 4.17Å; A528-F539 WeakPolarHBondContact O-CE2 3.44Å; K529-F539 HydrophobicContact CD-CE1 4.35Å; K529-F539 HydrophobicContact CG-CD1 4.18Å; K529-F539 HydrophobicContact CG-CE1 3.58Å; K529-F539 HydrophobicContact CG-CE2 4.23Å; K529-F539 HydrophobicContact CG-CZ 3.62Å; A532-F539 HydrophobicContact CB-CB 4.06Å; A532-F539 HydrophobicContact CB-CD2 3.73Å; A532-F539 HydrophobicContact CB-CG 4.29Å; F539-V573 HydrophobicContact CD2-CB 4.09Å; F539-V573 HydrophobicContact CD2-CG1 4.03Å; F539-V573 HydrophobicContact CE2-CG1 4.18Å; F539-F575 HydrophobicContact CE1-CB 4.47Å; F539-F575 HydrophobicContact CE2-CB 3.56Å; F539-F575 HydrophobicContact CE2-CD1 4.49Å; F539-F575 HydrophobicContact CE2-CG 4.08Å; F539-F575 HydrophobicContact CZ-CB 3.53Å; F539-F575 AromaticContact CZ-CD1 3.73Å; F539-F575 HydrophobicContact CZ-CD1 3.73Å; F539-F575 AromaticContact CZ-CG 3.76Å; F539-F575 HydrophobicContact CZ-CG 3.76Å
540	I	89.9	Confident	81.1	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	112.7	175.6	-59.3	180	0	0	0	107.4	V469 I542 A566 V573 L574 F575	V469-I540 HydrophobicContact CB-CG1 4.46Å; V469-I540 HydrophobicContact CG1-CG1 4.26Å; V469-I540 HydrophobicContact CG2-CD1 3.88Å; V469-I540 HydrophobicContact CG2-CG1 3.94Å; I540-I542 HydrophobicContact CG2-CD1 4.35Å; I540-I542 HydrophobicContact CG2-CG1 4.26Å; I540-A566 HydrophobicContact CD1-CB 3.92Å; I540-V573 PolarHBondContact N-O 3.33Å; I540-L574 HydrophobicContact CB-CD1 3.84Å; I540-L574 HydrophobicContact CG2-CD1 3.72Å; I540-F575 PolarHBondContact O-N 3.37Å
541	S	89.2	Confident	78.8	Confident	37 Å²	37	49 Å²	49	26%	0.259	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.2	176.1	-171.5	0	0	0	0	110.2	F575	S541-F575 WeakPolarHBondContact CA-O 3.12Å
542	I	88.6	Confident	76.6	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.6	175.2	-61.8	161.4	0	0	0	107.8	I540 L547 I562 L574 F575 F576 D577	I540-I542 HydrophobicContact CG2-CD1 4.35Å; I540-I542 HydrophobicContact CG2-CG1 4.26Å; I542-L547 HydrophobicContact CG2-CD1 3.69Å; I542-L547 HydrophobicContact CG2-CD2 3.93Å; I542-L547 HydrophobicContact CG2-CG 3.57Å; I542-I562 HydrophobicContact CD1-CB 4.22Å; I542-I562 HydrophobicContact CD1-CD1 3.78Å; I542-I562 HydrophobicContact CD1-CG1 3.97Å; I542-I562 HydrophobicContact CD1-CG2 3.25Å; I542-I562 HydrophobicContact CG1-CD1 4.38Å; I542-L574 HydrophobicContact CD1-CD1 3.7Å; I542-F575 PolarHBondContact N-O 2.88Å; I542-F576 HydrophobicContact CB-CD1 4.12Å; I542-F576 HydrophobicContact CB-CE1 4.35Å; I542-F576 HydrophobicContact CD1-CD1 4.29Å; I542-F576 HydrophobicContact CD1-CE1 3.74Å; I542-F576 HydrophobicContact CD1-CZ 4.16Å; I542-F576 HydrophobicContact CG2-CD1 4.2Å; I542-F576 HydrophobicContact CG2-CE1 4.34Å; I542-F576 WeakPolarHBondContact O-CA 3.3Å; I542-D577 PolarHBondContact O-N 3.19Å
543	K	85.2	Confident	75.1	Confident	105 Å²	105	60.6 Å²	60.6	46%	0.457	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	143.3	176.3	-61.7	179.8	-178.7	173.8	0	110.1	P545 E546	K543-P545 VanDerWaalsContact C-N 3.32Å; K543-P545 VanDerWaalsContact O-N 3.17Å; K543-E546 HydrophobicContact CB-CG 4.13Å; K543-E546 PolarHBondContact N-OE2 3.39Å; K543-E546 WeakPolarHBondContact O-CB 3.42Å; K543-E546 PolarHBondContact O-N 2.82Å
544	G	76.9	Confident	73.9	Confident	2 Å²	2	65.4 Å²	65.4	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-46.8	-45	179.1	0	0	0	0	0	115.3	E546 D577 S581 I582	G544-E546 VanDerWaalsContact C-N 3.35Å; G544-E546 PolarHBondContact O-N 3.14Å; G544-D577 PolarHBondContact N-O 2.99Å; G544-S581 WeakPolarHBondContact CA-OG 3.17Å; G544-I582 WeakPolarHBondContact O-CD1 2.79Å; G544-I582 WeakPolarHBondContact O-CG1 3.37Å
545	P	73.3	Confident	72.9	Confident	58 Å²	58	62.3 Å²	62.3	38%	0.377	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-31.1	175.5	-26.2	36.3	0	0	0	115.3	K543 L547 L548 T549	K543-P545 VanDerWaalsContact C-N 3.32Å; K543-P545 VanDerWaalsContact O-N 3.17Å; P545-L547 VanDerWaalsContact C-N 3.27Å; P545-L547 PolarHBondContact O-N 2.89Å; P545-L548 PolarHBondContact O-N 3.26Å; P545-T549 WeakPolarHBondContact O-CG2 3.5Å; P545-T549 PolarHBondContact O-N 3.19Å; P545-T549 PolarHBondContact O-OG1 3.43Å
546	E	71.8	Confident	72.5	Confident	73 Å²	73	64.6 Å²	64.6	34%	0.341	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-38.9	-177.6	-68.5	166.8	-176.1	0	0	110.7	K543 G544 L548 T549 M550	K543-E546 HydrophobicContact CB-CG 4.13Å; K543-E546 PolarHBondContact N-OE2 3.39Å; K543-E546 WeakPolarHBondContact O-CB 3.42Å; K543-E546 PolarHBondContact O-N 2.82Å; G544-E546 VanDerWaalsContact C-N 3.35Å; G544-E546 PolarHBondContact O-N 3.14Å; E546-L548 VanDerWaalsContact C-N 3.27Å; E546-L548 PolarHBondContact O-N 3.16Å; E546-T549 PolarHBondContact O-N 2.75Å; E546-T549 PolarHBondContact O-OG1 3.35Å; E546-M550 WeakPolarHBondContact O-CG 3.48Å
547	L	71.7	Confident	72.2	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-69.1	-21.3	176.1	-67.3	171	0	0	0	113.6	I542 P545 V559 I562 F576 I582 V600 I604	I542-L547 HydrophobicContact CG2-CD1 3.69Å; I542-L547 HydrophobicContact CG2-CD2 3.93Å; I542-L547 HydrophobicContact CG2-CG 3.57Å; P545-L547 VanDerWaalsContact C-N 3.27Å; P545-L547 PolarHBondContact O-N 2.89Å; L547-V559 HydrophobicContact CD2-CG2 4.08Å; L547-I562 HydrophobicContact CD2-CD1 3.99Å; L547-F576 HydrophobicContact CD1-CD1 4.2Å; L547-F576 HydrophobicContact CD1-CE1 4.2Å; L547-I582 HydrophobicContact CB-CD1 3.47Å; L547-I582 VanDerWaalsContact CB-CD1 3.47Å; L547-I582 HydrophobicContact CD1-CD1 3.23Å; L547-I582 HydrophobicContact CG-CD1 3.9Å; L547-V600 HydrophobicContact CB-CG1 4.2Å; L547-V600 HydrophobicContact CD1-CG1 4.37Å; L547-I604 HydrophobicContact CD1-CD1 4.1Å
548	L	64.9	Low	71.8	Confident	82 Å²	82	62.4 Å²	62.4	43%	0.429	33%	0.326	S	S	.	.	H	α-helix	trans	-90.7	-30.6	177.7	-64.5	174.4	0	0	0	112.6	P545 E546 M550 I582 A597	P545-L548 PolarHBondContact O-N 3.26Å; E546-L548 VanDerWaalsContact C-N 3.27Å; E546-L548 PolarHBondContact O-N 3.16Å; L548-M550 VanDerWaalsContact C-N 3.25Å; L548-M550 PolarHBondContact O-N 3.2Å; L548-I582 HydrophobicContact CD1-CG1 4.44Å; L548-I582 HydrophobicContact CD2-CG2 4.45Å; L548-I582 HydrophobicContact CG-CG1 4.25Å; L548-A597 HydrophobicContact CD2-CB 4.1Å
549	T	59.5	Low	71.7	Confident	106 Å²	106	61.1 Å²	61.1	65%	0.65	32%	0.319	S	S	*	.	H	α-helix	trans	-73.2	-16.2	179.2	51.6	0	0	0	0	113.9	P545 E546 W551	P545-T549 WeakPolarHBondContact O-CG2 3.5Å; P545-T549 PolarHBondContact O-N 3.19Å; P545-T549 PolarHBondContact O-OG1 3.43Å; E546-T549 PolarHBondContact O-N 2.75Å; E546-T549 PolarHBondContact O-OG1 3.35Å; T549-W551 PolarHBondContact O-N 2.82Å; T549-W551 VanDerWaalsContact O-N 3.11Å
550	M	54.8	Low	71.4	Confident	47 Å²	47	65.9 Å²	65.9	23%	0.232	34%	0.337	C	S	.	.	S	Bend	trans	-71.7	103.3	173.8	-65.2	171.8	-170.1	0	0	108.7	E546 L548 S555 N558	E546-M550 WeakPolarHBondContact O-CG 3.48Å; L548-M550 VanDerWaalsContact C-N 3.25Å; L548-M550 PolarHBondContact O-N 3.2Å; M550-S555 PolarHBondContact O-OG 2.77Å; M550-N558 HydrophobicContact SD-CB 3.54Å; M550-N558 VanDerWaalsContact SD-CB 3.54Å; M550-N558 PolarHBondContact SD-ND2 3.45Å
551	W	44.8	Very low	70.9	Confident	218 Å²	218	70.4 Å²	70.4	83%	0.826	36%	0.358	S	S	*	.			trans	-23.3	142	-176.9	-99.1	43.5	0	0	0	116.9	T549 G553 E554	T549-W551 PolarHBondContact O-N 2.82Å; T549-W551 VanDerWaalsContact O-N 3.11Å; W551-G553 PolarHBondContact O-N 2.86Å; W551-E554 PolarHBondContact O-N 3.49Å; W551-E554 VanDerWaalsContact O-N 3.12Å
552	F	46.3	Very low	70.8	Confident	185 Å²	185	69 Å²	69	81%	0.811	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	100.9	176.1	-87.6	-97.8	0	0	0	112.1	A596	F552-A596 HydrophobicContact CE1-CB 4.42Å
553	G	57.6	Low	70.7	Confident	59 Å²	59	69 Å²	69	61%	0.608	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.3	-23.7	174.3	0	0	0	0	0	116	W551	W551-G553 PolarHBondContact O-N 2.86Å
554	E	63.9	Low	70.6	Confident	126 Å²	126	66.7 Å²	66.7	59%	0.589	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-11	-179.2	-70.9	-172.8	162.6	0	0	113.9	W551 E556 A557 N558	W551-E554 PolarHBondContact O-N 3.49Å; W551-E554 VanDerWaalsContact O-N 3.12Å; E554-E556 VanDerWaalsContact C-N 3.28Å; E554-E556 PolarHBondContact O-N 3.37Å; E554-A557 PolarHBondContact O-N 3.47Å; E554-A557 VanDerWaalsContact O-N 3.14Å; E554-N558 PolarHBondContact O-N 3.14Å; E554-N558 PolarHBondContact O-OD1 3.33Å
555	S	67.7	Low	70.8	Confident	14 Å²	14	68.1 Å²	68.1	10%	0.098	35%	0.346	C	S	.	.	H	α-helix	trans	-59.7	-33	-173	-26.1	0	0	0	0	113.5	M550 V559	M550-S555 PolarHBondContact O-OG 2.77Å; S555-V559 VanDerWaalsContact O-CG2 3.24Å; S555-V559 WeakPolarHBondContact O-CG2 3.34Å; S555-V559 PolarHBondContact O-N 3.33Å; S555-V559 VanDerWaalsContact O-N 3.12Å
556	E	75.2	Confident	71.4	Confident	68 Å²	68	65.3 Å²	65.3	32%	0.318	33%	0.328	S	S	.	.	H	α-helix	trans	-69.2	-42.2	177	-68.9	177.7	-163.8	0	0	112.8	E554 N558 V559 R560 R599 Q603	E554-E556 VanDerWaalsContact C-N 3.28Å; E554-E556 PolarHBondContact O-N 3.37Å; E556-N558 VanDerWaalsContact C-N 3.27Å; E556-N558 PolarHBondContact O-N 3.31Å; E556-V559 PolarHBondContact O-N 2.86Å; E556-R560 WeakPolarHBondContact O-CG 3.49Å; E556-R560 PolarHBondContact O-N 3.43Å; E556-R599 HydrophobicContact CG-CB 4.44Å; E556-R599 WeakPolarHBondContact OE1-CB 3.48Å; E556-R599 WeakPolarHBondContact OE1-CD 3.48Å; E556-Q603 HydrophobicContact CB-CG 4.29Å; E556-Q603 HydrophobicContact CG-CB 4.35Å
557	A	76.1	Confident	71.9	Confident	50 Å²	50	66.1 Å²	66.1	41%	0.413	33%	0.328	S	S	.	.	H	α-helix	trans	-64.5	-38.4	178.8	0	0	0	0	0	110.7	E554 R560 E561	E554-A557 PolarHBondContact O-N 3.47Å; E554-A557 VanDerWaalsContact O-N 3.14Å; A557-R560 WeakPolarHBondContact O-CB 3.44Å; A557-R560 PolarHBondContact O-N 3.02Å; A557-E561 PolarHBondContact O-N 2.87Å
558	N	75.5	Confident	72.1	Confident	41 Å²	41	70.6 Å²	70.6	22%	0.219	35%	0.349	C	S	.	.	H	α-helix	trans	-67.8	-37.4	178.1	-62.9	2.9	0	0	0	111.9	M550 E554 E556 R560 E561 I562	M550-N558 HydrophobicContact SD-CB 3.54Å; M550-N558 VanDerWaalsContact SD-CB 3.54Å; M550-N558 PolarHBondContact SD-ND2 3.45Å; E554-N558 PolarHBondContact O-N 3.14Å; E554-N558 PolarHBondContact O-OD1 3.33Å; E556-N558 VanDerWaalsContact C-N 3.27Å; E556-N558 PolarHBondContact O-N 3.31Å; N558-R560 VanDerWaalsContact C-N 3.31Å; N558-R560 PolarHBondContact O-N 3.46Å; N558-E561 PolarHBondContact O-N 3.43Å; N558-I562 WeakPolarHBondContact O-CB 3.3Å; N558-I562 WeakPolarHBondContact O-CG1 3.34Å; N558-I562 PolarHBondContact O-N 3.41Å
559	V	84.1	Confident	72.7	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-43.8	171.3	175.5	0	0	0	0	110.4	L547 S555 E556 E561 I562 F563 V600 Q603 I604 E607	L547-V559 HydrophobicContact CD2-CG2 4.08Å; S555-V559 VanDerWaalsContact O-CG2 3.24Å; S555-V559 WeakPolarHBondContact O-CG2 3.34Å; S555-V559 PolarHBondContact O-N 3.33Å; S555-V559 VanDerWaalsContact O-N 3.12Å; E556-V559 PolarHBondContact O-N 2.86Å; V559-E561 VanDerWaalsContact C-N 3.34Å; V559-E561 PolarHBondContact O-N 3.16Å; V559-I562 WeakPolarHBondContact O-CB 3.42Å; V559-I562 PolarHBondContact O-N 3.33Å; V559-F563 HydrophobicContact CG1-CD2 4.01Å; V559-F563 HydrophobicContact CG1-CE2 4.01Å; V559-F563 WeakPolarHBondContact O-CD2 3.49Å; V559-F563 PolarHBondContact O-N 3.34Å; V559-V600 HydrophobicContact CG2-CG1 3.98Å; V559-Q603 HydrophobicContact CB-CB 4.39Å; V559-Q603 HydrophobicContact CB-CG 3.87Å; V559-Q603 HydrophobicContact CG1-CB 4.25Å; V559-Q603 HydrophobicContact CG1-CG 3.84Å; V559-I604 HydrophobicContact CG1-CB 4.47Å; V559-I604 HydrophobicContact CG1-CG1 3.65Å; V559-I604 HydrophobicContact CG2-CG1 4.34Å; V559-E607 HydrophobicContact CG1-CG 4.33Å
560	R	83.4	Confident	73.7	Confident	107 Å²	107	64.3 Å²	64.3	40%	0.404	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-46.4	175.2	-58.2	-166	-174.9	114.1	12.5	111.4	E556 A557 N558 I562 F563 D564 Q603 E607	E556-R560 WeakPolarHBondContact O-CG 3.49Å; E556-R560 PolarHBondContact O-N 3.43Å; A557-R560 WeakPolarHBondContact O-CB 3.44Å; A557-R560 PolarHBondContact O-N 3.02Å; N558-R560 VanDerWaalsContact C-N 3.31Å; N558-R560 PolarHBondContact O-N 3.46Å; R560-I562 VanDerWaalsContact C-N 3.31Å; R560-I562 PolarHBondContact O-N 3.41Å; R560-F563 PolarHBondContact O-N 3.23Å; R560-F563 VanDerWaalsContact O-N 3.14Å; R560-D564 WeakPolarHBondContact O-CB 3.26Å; R560-D564 VanDerWaalsContact O-CG 3.25Å; R560-D564 PolarHBondContact O-N 3.32Å; R560-D564 VanDerWaalsContact O-OD1 3.07Å; R560-Q603 HydrophobicContact CG-CG 4.35Å; R560-E607 WeakPolarHBondContact CG-OE1 3.4Å
561	E	79.4	Confident	75.1	Confident	96 Å²	96	64.4 Å²	64.4	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-59.5	-40.9	179.9	-172.8	171.6	171.6	0	0	112.5	A557 N558 V559 F563 D564 K565	A557-E561 PolarHBondContact O-N 2.87Å; N558-E561 PolarHBondContact O-N 3.43Å; V559-E561 VanDerWaalsContact C-N 3.34Å; V559-E561 PolarHBondContact O-N 3.16Å; E561-F563 PolarHBondContact O-N 3.2Å; E561-D564 PolarHBondContact O-N 3.2Å; E561-K565 WeakPolarHBondContact O-CB 3.48Å; E561-K565 PolarHBondContact O-N 3.36Å
562	I	86	Confident	77.1	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-50.5	173	-83	157.3	0	0	0	111.5	T467 I542 L547 N558 V559 R560 D564 K565 A566 L574	T467-I562 HydrophobicContact CG2-CG1 4.4Å; I542-I562 HydrophobicContact CD1-CB 4.22Å; I542-I562 HydrophobicContact CD1-CD1 3.78Å; I542-I562 HydrophobicContact CD1-CG1 3.97Å; I542-I562 HydrophobicContact CD1-CG2 3.25Å; I542-I562 HydrophobicContact CG1-CD1 4.38Å; L547-I562 HydrophobicContact CD2-CD1 3.99Å; N558-I562 WeakPolarHBondContact O-CB 3.3Å; N558-I562 WeakPolarHBondContact O-CG1 3.34Å; N558-I562 PolarHBondContact O-N 3.41Å; V559-I562 WeakPolarHBondContact O-CB 3.42Å; V559-I562 PolarHBondContact O-N 3.33Å; R560-I562 VanDerWaalsContact C-N 3.31Å; R560-I562 PolarHBondContact O-N 3.41Å; I562-D564 VanDerWaalsContact C-N 3.34Å; I562-K565 PolarHBondContact O-N 3.29Å; I562-A566 PolarHBondContact O-N 2.96Å; I562-L574 HydrophobicContact CG2-CD1 3.91Å; I562-L574 HydrophobicContact CG2-CD2 4.35Å
563	F	87.5	Confident	79.3	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.009	25%	0.247	C	C	.	.	H	α-helix	trans	-69.7	-35.4	-178	-86.1	-96.9	0	0	0	111.2	V559 R560 E561 A566 R567 L574 F576 I604 E607 M608 M611 I619	V559-F563 HydrophobicContact CG1-CD2 4.01Å; V559-F563 HydrophobicContact CG1-CE2 4.01Å; V559-F563 WeakPolarHBondContact O-CD2 3.49Å; V559-F563 PolarHBondContact O-N 3.34Å; R560-F563 PolarHBondContact O-N 3.23Å; R560-F563 VanDerWaalsContact O-N 3.14Å; E561-F563 PolarHBondContact O-N 3.2Å; F563-A566 PolarHBondContact O-N 3.5Å; F563-R567 WeakPolarHBondContact O-CB 3.34Å; F563-R567 VanDerWaalsContact O-CG 3.25Å; F563-R567 WeakPolarHBondContact O-CG 3.39Å; F563-R567 PolarHBondContact O-N 3.49Å; F563-L574 HydrophobicContact CD1-CD2 3.93Å; F563-L574 HydrophobicContact CD2-CD2 4.27Å; F563-L574 HydrophobicContact CE1-CD2 3.72Å; F563-L574 HydrophobicContact CE2-CD2 4.09Å; F563-L574 HydrophobicContact CG-CD2 4.21Å; F563-L574 HydrophobicContact CZ-CD2 3.8Å; F563-F576 HydrophobicContact CE2-CE2 4.34Å; F563-F576 AromaticContact CE2-CZ 3.71Å; F563-F576 HydrophobicContact CE2-CZ 3.71Å; F563-F576 HydrophobicContact CZ-CE2 4.04Å; F563-F576 AromaticContact CZ-CZ 3.88Å; F563-F576 HydrophobicContact CZ-CZ 3.88Å; F563-I604 HydrophobicContact CE2-CG2 4.36Å; F563-I604 HydrophobicContact CZ-CG2 4.19Å; F563-E607 HydrophobicContact CB-CB 4.1Å; F563-E607 HydrophobicContact CB-CG 4.13Å; F563-E607 HydrophobicContact CD1-CB 3.6Å; F563-E607 HydrophobicContact CD1-CG 4.5Å; F563-E607 HydrophobicContact CD2-CB 3.61Å; F563-E607 HydrophobicContact CD2-CG 3.84Å; F563-E607 HydrophobicContact CE1-CB 3.8Å; F563-E607 HydrophobicContact CE2-CB 3.8Å; F563-E607 HydrophobicContact CE2-CG 4.34Å; F563-E607 HydrophobicContact CG-CB 3.5Å; F563-E607 HydrophobicContact CG-CG 3.92Å; F563-E607 HydrophobicContact CZ-CB 3.89Å; F563-M608 HydrophobicContact CE1-CG 4.17Å; F563-M608 HydrophobicContact CZ-CG 4.03Å; F563-M611 HydrophobicContact CD1-CE 3.37Å; F563-M611 HydrophobicContact CE1-CE 3.52Å; F563-I619 HydrophobicContact CE1-CD1 3.87Å; F563-I619 HydrophobicContact CZ-CD1 4.49Å
564	D	83.3	Confident	80.9	Confident	56 Å²	56	42.7 Å²	42.7	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-45.8	173.3	-72.5	15.2	0	0	0	111	R560 E561 I562 R567 Q568	R560-D564 WeakPolarHBondContact O-CB 3.26Å; R560-D564 VanDerWaalsContact O-CG 3.25Å; R560-D564 PolarHBondContact O-N 3.32Å; R560-D564 VanDerWaalsContact O-OD1 3.07Å; E561-D564 PolarHBondContact O-N 3.2Å; I562-D564 VanDerWaalsContact C-N 3.34Å; D564-R567 VanDerWaalsContact CG-NH2 3.29Å; D564-R567 WeakPolarHBondContact O-CB 3.5Å; D564-R567 PolarHBondContact O-N 3.19Å; D564-R567 VanDerWaalsContact O-N 3.17Å; D564-R567 IonicContact OD1-CZ 3.75Å; D564-R567 VanDerWaalsContact OD1-CZ 3.32Å; D564-R567 IonicContact OD1-NE 2.99Å; D564-R567 IonicContact OD1-NH2 3.42Å; D564-R567 PolarHBondContact OD1-NH2 3.15Å; D564-R567 IonicContact OD2-NH2 2.82Å; D564-Q568 VanDerWaalsContact O-CG 3.28Å; D564-Q568 WeakPolarHBondContact O-CG 3.5Å; D564-Q568 PolarHBondContact O-N 3.48Å
565	K	79.6	Confident	82.4	Confident	31 Å²	31	36.7 Å²	36.7	14%	0.135	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-45.4	176.1	-161.7	174.6	-164.1	178.1	0	111.3	T467 V469 E561 I562 R567 Q568 A569	T467-K565 PolarHBondContact O-NZ 3.47Å; V469-K565 HydrophobicContact CG2-CD 3.83Å; V469-K565 HydrophobicContact CG2-CG 4Å; E561-K565 WeakPolarHBondContact O-CB 3.48Å; E561-K565 PolarHBondContact O-N 3.36Å; I562-K565 PolarHBondContact O-N 3.29Å; K565-R567 VanDerWaalsContact C-N 3.31Å; K565-R567 PolarHBondContact O-N 2.92Å; K565-Q568 PolarHBondContact O-N 3.02Å; K565-A569 VanDerWaalsContact O-CB 3.3Å; K565-A569 WeakPolarHBondContact O-CB 3.3Å; K565-A569 PolarHBondContact O-N 3.3Å
566	A	85.4	Confident	83.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-40	174.1	0	0	0	0	0	112.4	I540 I562 F563 Q568 A569 A570 C572 L574 V617	I540-A566 HydrophobicContact CD1-CB 3.92Å; I562-A566 PolarHBondContact O-N 2.96Å; F563-A566 PolarHBondContact O-N 3.5Å; A566-Q568 VanDerWaalsContact C-N 3.33Å; A566-Q568 PolarHBondContact O-N 3.27Å; A566-A569 CarbonylContact O-C 3.52Å; A566-A569 PolarHBondContact O-N 3.09Å; A566-A570 PolarHBondContact O-N 3.21Å; A566-C572 WeakPolarHBondContact O-CB 3.33Å; A566-L574 HydrophobicContact CB-CD1 4.47Å; A566-L574 HydrophobicContact CB-CD2 4.43Å; A566-V617 HydrophobicContact CB-CG1 4.03Å; A566-V617 WeakPolarHBondContact O-CG2 3.46Å
567	R	83.8	Confident	84.3	Confident	89 Å²	89	34.1 Å²	34.1	34%	0.336	18%	0.177	S	C	.	.	H	α-helix	trans	-67.5	-31	177.4	-75	-174.9	-64.3	125.8	-27.3	113.4	F563 D564 K565 V617	F563-R567 WeakPolarHBondContact O-CB 3.34Å; F563-R567 VanDerWaalsContact O-CG 3.25Å; F563-R567 WeakPolarHBondContact O-CG 3.39Å; F563-R567 PolarHBondContact O-N 3.49Å; D564-R567 VanDerWaalsContact CG-NH2 3.29Å; D564-R567 WeakPolarHBondContact O-CB 3.5Å; D564-R567 PolarHBondContact O-N 3.19Å; D564-R567 VanDerWaalsContact O-N 3.17Å; D564-R567 IonicContact OD1-CZ 3.75Å; D564-R567 VanDerWaalsContact OD1-CZ 3.32Å; D564-R567 IonicContact OD1-NE 2.99Å; D564-R567 IonicContact OD1-NH2 3.42Å; D564-R567 PolarHBondContact OD1-NH2 3.15Å; D564-R567 IonicContact OD2-NH2 2.82Å; K565-R567 VanDerWaalsContact C-N 3.31Å; K565-R567 PolarHBondContact O-N 2.92Å; R567-V617 HydrophobicContact CG-CG2 4.39Å
568	Q	75.6	Confident	84.8	Confident	96 Å²	96	35.5 Å²	35.5	45%	0.449	18%	0.175	S	C	.	.	H	α-helix	trans	-81.1	-32.4	176.5	-67.5	171.1	18.9	0	0	111.7	Y244 D564 K565 A566 A570	Y244-Q568 PolarHBondContact OH-NE2 3.37Å; Y244-Q568 PolarHBondContact OH-OE1 2.89Å; D564-Q568 VanDerWaalsContact O-CG 3.28Å; D564-Q568 WeakPolarHBondContact O-CG 3.5Å; D564-Q568 PolarHBondContact O-N 3.48Å; K565-Q568 PolarHBondContact O-N 3.02Å; A566-Q568 VanDerWaalsContact C-N 3.33Å; A566-Q568 PolarHBondContact O-N 3.27Å; Q568-A570 PolarHBondContact O-N 2.76Å
569	A	77.5	Confident	85.3	Confident	15 Å²	15	34.1 Å²	34.1	12%	0.124	17%	0.168	C	C	.	.	S	Bend	trans	-81.3	11.6	175.4	0	0	0	0	0	113.7	V469 N538 K565 A566 P571 C572	V469-A569 HydrophobicContact CG1-CB 3.88Å; N538-A569 HydrophobicContact CB-CB 4.13Å; N538-A569 PolarHBondContact ND2-O 2.91Å; K565-A569 VanDerWaalsContact O-CB 3.3Å; K565-A569 WeakPolarHBondContact O-CB 3.3Å; K565-A569 PolarHBondContact O-N 3.3Å; A566-A569 CarbonylContact O-C 3.52Å; A566-A569 PolarHBondContact O-N 3.09Å; A569-P571 CarbonylContact O-C 3.37Å; A569-P571 VanDerWaalsContact O-C 3.3Å; A569-P571 VanDerWaalsContact O-O 3.05Å; A569-C572 HydrophobicContact CB-CB 4.31Å; A569-C572 WeakPolarHBondContact O-CB 3.44Å
570	A	79.9	Confident	85.3	Confident	42 Å²	42	35.2 Å²	35.2	35%	0.347	17%	0.174	S	C	.	.			trans	-61.7	135.6	-180	0	0	0	0	0	111.6	A566 Q568 V617	A566-A570 PolarHBondContact O-N 3.21Å; Q568-A570 PolarHBondContact O-N 2.76Å; A570-V617 HydrophobicContact CB-CG2 4.24Å
571	P	84.1	Confident	85.2	Confident	48 Å²	48	31.8 Å²	31.8	31%	0.312	17%	0.166	S	C	.	.	S	Bend	cis	-71.8	129.9	1.7	29.8	-34.3	0	0	0	113.3	A537 N538 A569 N616	A537-P571 HydrophobicContact CB-CB 4.33Å; N538-P571 PolarHBondContact N-O 3.37Å; A569-P571 CarbonylContact O-C 3.37Å; A569-P571 VanDerWaalsContact O-C 3.3Å; A569-P571 VanDerWaalsContact O-O 3.05Å; P571-N616 WeakPolarHBondContact CA-O 3.28Å; P571-N616 HydrophobicContact CB-CB 4.24Å
572	C	88.2	Confident	85	Confident	4 Å²	4	27.6 Å²	27.6	3%	0.027	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.2	-172.2	-171.5	0	0	0	0	113	N538 A566 A569 N616 V617 F618	N538-C572 HydrophobicContact CB-CB 4.29Å; N538-C572 CarbonylContact O-C 3.5Å; N538-C572 VanDerWaalsContact O-CA 3.26Å; N538-C572 WeakPolarHBondContact O-CA 3.42Å; N538-C572 PolarHBondContact O-SG 3.47Å; A566-C572 WeakPolarHBondContact O-CB 3.33Å; A569-C572 HydrophobicContact CB-CB 4.31Å; A569-C572 WeakPolarHBondContact O-CB 3.44Å; C572-N616 PolarHBondContact N-O 3.35Å; C572-V617 WeakPolarHBondContact O-CA 3.4Å; C572-F618 PolarHBondContact O-N 3.25Å
573	V	90.8	Very high	84	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.3	167.8	178.5	0	0	0	0	109	A532 A537 N538 F539 I540 F618 I620	A532-V573 HydrophobicContact CB-CB 4.08Å; A532-V573 HydrophobicContact CB-CG2 3.88Å; A537-V573 HydrophobicContact CB-CG2 4.43Å; N538-V573 PolarHBondContact O-N 2.94Å; F539-V573 HydrophobicContact CD2-CB 4.09Å; F539-V573 HydrophobicContact CD2-CG1 4.03Å; F539-V573 HydrophobicContact CE2-CG1 4.18Å; I540-V573 PolarHBondContact N-O 3.33Å; V573-F618 CarbonylContact C-O 3.56Å; V573-F618 WeakPolarHBondContact CA-O 3.44Å; V573-I620 HydrophobicContact CG1-CD1 3.66Å; V573-I620 HydrophobicContact CG1-CG1 4.09Å
574	L	92.4	Very high	83	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	108.3	176	-177.2	62.1	0	0	0	109.3	I540 I542 I562 F563 A566 F576 F618 I619 I620	I540-L574 HydrophobicContact CB-CD1 3.84Å; I540-L574 HydrophobicContact CG2-CD1 3.72Å; I542-L574 HydrophobicContact CD1-CD1 3.7Å; I562-L574 HydrophobicContact CG2-CD1 3.91Å; I562-L574 HydrophobicContact CG2-CD2 4.35Å; F563-L574 HydrophobicContact CD1-CD2 3.93Å; F563-L574 HydrophobicContact CD2-CD2 4.27Å; F563-L574 HydrophobicContact CE1-CD2 3.72Å; F563-L574 HydrophobicContact CE2-CD2 4.09Å; F563-L574 HydrophobicContact CG-CD2 4.21Å; F563-L574 HydrophobicContact CZ-CD2 3.8Å; A566-L574 HydrophobicContact CB-CD1 4.47Å; A566-L574 HydrophobicContact CB-CD2 4.43Å; L574-F576 HydrophobicContact CD2-CE2 3.7Å; L574-F576 HydrophobicContact CD2-CZ 3.89Å; L574-F576 HydrophobicContact CG-CD2 4.45Å; L574-F576 HydrophobicContact CG-CE2 3.77Å; L574-F576 HydrophobicContact CG-CZ 4.14Å; L574-F618 PolarHBondContact N-O 3.05Å; L574-I619 WeakPolarHBondContact O-CA 3.25Å; L574-I620 PolarHBondContact O-N 3.32Å
575	F	94.1	Very high	81.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116	-174.2	-179	-114	0	0	0	111.9	F516 T525 A528 F539 I540 S541 I542 D577 I620 A622	F516-F575 HydrophobicContact CD2-CE2 4.39Å; T525-F575 HydrophobicContact CG2-CE1 3.76Å; T525-F575 HydrophobicContact CG2-CZ 4.31Å; A528-F575 HydrophobicContact CB-CD1 4.41Å; A528-F575 HydrophobicContact CB-CD2 3.4Å; A528-F575 HydrophobicContact CB-CE2 3.52Å; A528-F575 HydrophobicContact CB-CG 3.88Å; A528-F575 HydrophobicContact CB-CZ 4.11Å; F539-F575 HydrophobicContact CE1-CB 4.47Å; F539-F575 HydrophobicContact CE2-CB 3.56Å; F539-F575 HydrophobicContact CE2-CD1 4.49Å; F539-F575 HydrophobicContact CE2-CG 4.08Å; F539-F575 HydrophobicContact CZ-CB 3.53Å; F539-F575 AromaticContact CZ-CD1 3.73Å; F539-F575 HydrophobicContact CZ-CD1 3.73Å; F539-F575 AromaticContact CZ-CG 3.76Å; F539-F575 HydrophobicContact CZ-CG 3.76Å; I540-F575 PolarHBondContact O-N 3.37Å; S541-F575 WeakPolarHBondContact CA-O 3.12Å; I542-F575 PolarHBondContact N-O 2.88Å; F575-D577 HydrophobicContact CD1-CB 4.15Å; F575-D577 HydrophobicContact CE1-CB 3.45Å; F575-D577 VanDerWaalsContact CE1-CB 3.45Å; F575-D577 VanDerWaalsContact CE1-CG 3.5Å; F575-D577 WeakPolarHBondContact CE1-OD2 3.38Å; F575-D577 HydrophobicContact CZ-CB 3.98Å; F575-I620 CarbonylContact C-O 3.57Å; F575-I620 VanDerWaalsContact CA-O 3.29Å; F575-I620 WeakPolarHBondContact CA-O 3.3Å; F575-I620 HydrophobicContact CD2-CB 3.85Å; F575-I620 HydrophobicContact CD2-CG2 3.59Å; F575-I620 HydrophobicContact CE2-CG2 3.83Å; F575-A622 HydrophobicContact CE2-CB 3.67Å; F575-A622 HydrophobicContact CZ-CB 3.62Å
576	F	92.3	Very high	80.8	Confident	7 Å²	7	37.9 Å²	37.9	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	105.4	170.9	-66.9	-83.2	0	0	0	109.9	I542 L547 F563 L574 L579 I604 I619 I620 G621 A622	I542-F576 HydrophobicContact CB-CD1 4.12Å; I542-F576 HydrophobicContact CB-CE1 4.35Å; I542-F576 HydrophobicContact CD1-CD1 4.29Å; I542-F576 HydrophobicContact CD1-CE1 3.74Å; I542-F576 HydrophobicContact CD1-CZ 4.16Å; I542-F576 HydrophobicContact CG2-CD1 4.2Å; I542-F576 HydrophobicContact CG2-CE1 4.34Å; I542-F576 WeakPolarHBondContact O-CA 3.3Å; L547-F576 HydrophobicContact CD1-CD1 4.2Å; L547-F576 HydrophobicContact CD1-CE1 4.2Å; F563-F576 HydrophobicContact CE2-CE2 4.34Å; F563-F576 AromaticContact CE2-CZ 3.71Å; F563-F576 HydrophobicContact CE2-CZ 3.71Å; F563-F576 HydrophobicContact CZ-CE2 4.04Å; F563-F576 AromaticContact CZ-CZ 3.88Å; F563-F576 HydrophobicContact CZ-CZ 3.88Å; L574-F576 HydrophobicContact CD2-CE2 3.7Å; L574-F576 HydrophobicContact CD2-CZ 3.89Å; L574-F576 HydrophobicContact CG-CD2 4.45Å; L574-F576 HydrophobicContact CG-CE2 3.77Å; L574-F576 HydrophobicContact CG-CZ 4.14Å; F576-L579 HydrophobicContact CB-CD1 4.15Å; F576-L579 HydrophobicContact CB-CD2 3.61Å; F576-L579 HydrophobicContact CB-CG 3.79Å; F576-L579 HydrophobicContact CD1-CD2 4.47Å; F576-L579 HydrophobicContact CG-CD2 4.2Å; F576-I604 HydrophobicContact CE1-CD1 4.13Å; F576-I604 HydrophobicContact CZ-CG2 4.42Å; F576-I619 HydrophobicContact CD2-CG2 3.99Å; F576-I619 HydrophobicContact CE2-CG2 3.93Å; F576-I620 PolarHBondContact N-O 3.04Å; F576-G621 CarbonylContact O-C 3.55Å; F576-G621 WeakPolarHBondContact O-CA 3.29Å; F576-A622 PolarHBondContact O-N 3.21Å
577	D	90.9	Very high	79.1	Confident	21 Å²	21	41.6 Å²	41.6	11%	0.112	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	152	175.1	-148	-12.6	0	0	0	111.3	T525 I542 G544 F575 L579	T525-D577 PolarHBondContact OG1-OD2 2.97Å; I542-D577 PolarHBondContact O-N 3.19Å; G544-D577 PolarHBondContact N-O 2.99Å; F575-D577 HydrophobicContact CD1-CB 4.15Å; F575-D577 HydrophobicContact CE1-CB 3.45Å; F575-D577 VanDerWaalsContact CE1-CB 3.45Å; F575-D577 VanDerWaalsContact CE1-CG 3.5Å; F575-D577 WeakPolarHBondContact CE1-OD2 3.38Å; F575-D577 HydrophobicContact CZ-CB 3.98Å; D577-L579 VanDerWaalsContact C-N 3.29Å; D577-L579 PolarHBondContact O-N 2.75Å
578	E	87.8	Confident	77.3	Confident	80 Å²	80	40.7 Å²	40.7	37%	0.374	25%	0.25	S	S	.	.			trans	51.5	44.8	-179.9	-57.3	-174.7	157	0	0	113.2	D580 S581 A622	E578-D580 WeakPolarHBondContact CA-OD1 3.17Å; E578-D580 PolarHBondContact O-N 2.69Å; E578-S581 WeakPolarHBondContact O-CB 3.45Å; E578-S581 PolarHBondContact O-N 3.04Å; E578-S581 PolarHBondContact O-OG 2.72Å; E578-A622 PolarHBondContact N-O 3.38Å
579	L	86.4	Confident	75.8	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.058	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55.6	-25.6	178.5	-83.8	179.7	0	0	0	112.5	L515 F576 D577 S581 I582 A583 A622 L639	L515-L579 HydrophobicContact CD1-CD1 3.99Å; F576-L579 HydrophobicContact CB-CD1 4.15Å; F576-L579 HydrophobicContact CB-CD2 3.61Å; F576-L579 HydrophobicContact CB-CG 3.79Å; F576-L579 HydrophobicContact CD1-CD2 4.47Å; F576-L579 HydrophobicContact CG-CD2 4.2Å; D577-L579 VanDerWaalsContact C-N 3.29Å; D577-L579 PolarHBondContact O-N 2.75Å; L579-S581 PolarHBondContact O-N 2.87Å; L579-I582 PolarHBondContact O-N 2.69Å; L579-A583 WeakPolarHBondContact O-CA 3.4Å; L579-A583 WeakPolarHBondContact O-CB 3.31Å; L579-A583 PolarHBondContact O-N 2.97Å; L579-A622 PolarHBondContact N-O 3.03Å; L579-L639 HydrophobicContact CD1-CD1 4.2Å
580	D	83.8	Confident	74.2	Confident	24 Å²	24	50.4 Å²	50.4	13%	0.128	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-63.7	-15.9	174.6	52.9	-53.3	0	0	0	115	E578 K584 T623 R625 I628	E578-D580 WeakPolarHBondContact CA-OD1 3.17Å; E578-D580 PolarHBondContact O-N 2.69Å; D580-K584 WeakPolarHBondContact O-CE 3.33Å; D580-K584 WeakPolarHBondContact O-CG 3.27Å; D580-T623 WeakPolarHBondContact CB-OG1 3.43Å; D580-R625 HydrophobicContact CB-CB 3.83Å; D580-I628 HydrophobicContact CB-CD1 3.78Å; D580-I628 HydrophobicContact CB-CG1 4.29Å
581	S	80.5	Confident	72.4	Confident	36 Å²	36	51.3 Å²	51.3	25%	0.252	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-76.3	-29.7	175.3	86.3	0	0	0	0	112.7	G544 E578 L579	G544-S581 WeakPolarHBondContact CA-OG 3.17Å; E578-S581 WeakPolarHBondContact O-CB 3.45Å; E578-S581 PolarHBondContact O-N 3.04Å; E578-S581 PolarHBondContact O-OG 2.72Å; L579-S581 PolarHBondContact O-N 2.87Å
582	I	75.1	Confident	70.9	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.036	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-47.2	-178.5	-46.4	173.9	0	0	0	110.7	G544 L547 L548 L579 K584 A597 V600 I601	G544-I582 WeakPolarHBondContact O-CD1 2.79Å; G544-I582 WeakPolarHBondContact O-CG1 3.37Å; L547-I582 HydrophobicContact CB-CD1 3.47Å; L547-I582 VanDerWaalsContact CB-CD1 3.47Å; L547-I582 HydrophobicContact CD1-CD1 3.23Å; L547-I582 HydrophobicContact CG-CD1 3.9Å; L548-I582 HydrophobicContact CD1-CG1 4.44Å; L548-I582 HydrophobicContact CD2-CG2 4.45Å; L548-I582 HydrophobicContact CG-CG1 4.25Å; L579-I582 PolarHBondContact O-N 2.69Å; I582-K584 PolarHBondContact O-N 3.4Å; I582-A597 HydrophobicContact CG2-CB 4Å; I582-V600 HydrophobicContact CG2-CG1 4.34Å; I582-I601 HydrophobicContact CG2-CD1 4.45Å; I582-I601 HydrophobicContact CG2-CG1 4.04Å
583	A	66	Low	69	Low	1 Å²	1	61 Å²	61	1%	0.008	39%	0.387	C	S	.	.			trans	-83.7	43.2	-169	0	0	0	0	0	113.7	L579 I601 I629 D630 I633	L579-A583 WeakPolarHBondContact O-CA 3.4Å; L579-A583 WeakPolarHBondContact O-CB 3.31Å; L579-A583 PolarHBondContact O-N 2.97Å; A583-I601 HydrophobicContact CB-CD1 4.2Å; A583-I601 HydrophobicContact CB-CG1 4.5Å; A583-I629 WeakPolarHBondContact O-CA 3.44Å; A583-D630 PolarHBondContact O-N 2.91Å; A583-I633 HydrophobicContact CB-CD1 3.72Å
584	K	66.1	Low	67.4	Low	116 Å²	116	63 Å²	63	50%	0.504	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-72.5	134.9	175.2	-68.6	-179.4	-176.2	171.3	0	110.5	D580 I582 R586 I628	D580-K584 WeakPolarHBondContact O-CE 3.33Å; D580-K584 WeakPolarHBondContact O-CG 3.27Å; I582-K584 PolarHBondContact O-N 3.4Å; K584-R586 PolarHBondContact O-N 3.12Å; K584-I628 CarbonylContact C-O 3.59Å; K584-I628 WeakPolarHBondContact CA-O 3.45Å; K584-I628 HydrophobicContact CG-CD1 3.94Å
585	A	57.5	Low	66.1	Low	47 Å²	47	64.8 Å²	64.8	39%	0.388	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-53.4	128.9	177.9	0	0	0	0	0	110.4	G587 I628	A585-G587 PolarHBondContact O-N 3.08Å; A585-I628 PolarHBondContact N-O 3.24Å
586	R	58.1	Low	64.8	Low	149 Å²	149	66 Å²	66	56%	0.562	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	120.9	-176.8	-58.6	177.4	-168.2	-150.7	-6.8	109.6	K584 N602 D630	K584-R586 PolarHBondContact O-N 3.12Å; R586-N602 PolarHBondContact NH2-OD1 3.4Å; R586-D630 IonicContact CZ-OD2 3.89Å; R586-D630 IonicContact NE-OD2 3.27Å; R586-D630 PolarHBondContact NE-OD2 3.48Å; R586-D630 IonicContact NH2-OD2 3.61Å
587	G	50.2	Low	63.8	Low	79 Å²	79	66.8 Å²	66.8	81%	0.814	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.5	11.8	169.5	0	0	0	0	0	117.7	A585 N589	A585-G587 PolarHBondContact O-N 3.08Å; G587-N589 PolarHBondContact O-N 3.39Å
588	G	47.2	Very low	63.1	Low	70 Å²	70	68.3 Å²	68.3	72%	0.722	45%	0.453	S	S	*	.	S	Bend	trans	-70.9	-19.6	-178.3	0	0	0	0	0	117
589	N	42.3	Very low	62.7	Low	152 Å²	152	70.1 Å²	70.1	81%	0.813	46%	0.457	S	S	*	.	S	Bend	trans	-132.1	124.8	177.7	-82	-16.7	0	0	0	110.8	G587 G591	G587-N589 PolarHBondContact O-N 3.39Å; N589-G591 PolarHBondContact O-N 3.47Å
590	V	44.4	Very low	62.5	Low	162 Å²	162	69.7 Å²	69.7	98%	0.982	45%	0.454	S	S	*	.	S	Bend	trans	-67.4	93	169.4	-178.6	0	0	0	0	107.9
591	G	43.3	Very low	62.4	Low	62 Å²	62	68.8 Å²	68.8	64%	0.639	45%	0.449	S	S	*	.	S	Bend	trans	172.2	110.5	-178.9	0	0	0	0	0	111.6	N589 G593	N589-G591 PolarHBondContact O-N 3.47Å; G591-G593 PolarHBondContact O-N 3.28Å
592	D	51	Low	62.6	Low	186 Å²	186	70.1 Å²	70.1	100%	0.995	45%	0.454	S	S	*	.	S	Bend	trans	-66.9	83.2	-169	-159	12.1	0	0	0	114
593	G	50	Low	63.2	Low	68 Å²	68	70.5 Å²	70.5	70%	0.701	46%	0.456	S	S	*	.			trans	-156.1	5.5	-179.2	0	0	0	0	0	118.1	G591	G591-G593 PolarHBondContact O-N 3.28Å
594	G	55.9	Low	64.2	Low	44 Å²	44	71.1 Å²	71.1	45%	0.454	46%	0.459	S	S	.	.			trans	-87.1	-3.4	-169.2	0	0	0	0	0	117.8	A596 A597 D598	G594-A596 VanDerWaalsContact C-N 3.26Å; G594-A596 PolarHBondContact O-N 2.98Å; G594-A597 PolarHBondContact O-N 3.37Å; G594-D598 PolarHBondContact O-N 3.47Å
595	G	66.2	Low	65.3	Low	38 Å²	38	66.1 Å²	66.1	39%	0.392	44%	0.437	S	S	.	.	H	α-helix	trans	-67	-13.3	-165.2	0	0	0	0	0	116.9	R599	G595-R599 WeakPolarHBondContact O-CG 3.06Å; G595-R599 PolarHBondContact O-N 3.01Å; G595-R599 PolarHBondContact O-NE 2.93Å
596	A	66.9	Low	66.8	Low	27 Å²	27	67.8 Å²	67.8	22%	0.223	44%	0.443	C	S	.	.	H	α-helix	trans	-79.8	-47.7	177.1	0	0	0	0	0	112.1	F552 G594 D598 R599 V600	F552-A596 HydrophobicContact CE1-CB 4.42Å; G594-A596 VanDerWaalsContact C-N 3.26Å; G594-A596 PolarHBondContact O-N 2.98Å; A596-D598 VanDerWaalsContact C-N 3.32Å; A596-D598 PolarHBondContact O-N 3.36Å; A596-R599 PolarHBondContact O-N 3.34Å; A596-V600 WeakPolarHBondContact O-CG2 3.38Å; A596-V600 PolarHBondContact O-N 2.78Å; A596-V600 VanDerWaalsContact O-N 3.1Å
597	A	71.2	Confident	68.3	Low	23 Å²	23	62.1 Å²	62.1	19%	0.19	42%	0.422	C	S	.	.	H	α-helix	trans	-62.2	-40.8	177.2	0	0	0	0	0	111.4	L548 I582 G594 R599 V600 I601	L548-A597 HydrophobicContact CD2-CB 4.1Å; I582-A597 HydrophobicContact CG2-CB 4Å; G594-A597 PolarHBondContact O-N 3.37Å; A597-R599 VanDerWaalsContact C-N 3.34Å; A597-R599 PolarHBondContact O-N 3.01Å; A597-V600 PolarHBondContact O-N 3.05Å; A597-I601 WeakPolarHBondContact O-CG1 3.5Å; A597-I601 PolarHBondContact O-N 3.48Å
598	D	75.6	Confident	70	Confident	53 Å²	53	58.6 Å²	58.6	28%	0.283	39%	0.385	S	S	.	.	H	α-helix	trans	-61.4	-40.9	177.3	-68.6	-22.3	0	0	0	112.4	G594 A596 I601 N602	G594-D598 PolarHBondContact O-N 3.47Å; A596-D598 VanDerWaalsContact C-N 3.32Å; A596-D598 PolarHBondContact O-N 3.36Å; D598-I601 PolarHBondContact O-N 2.7Å; D598-N602 WeakPolarHBondContact O-CB 3.48Å; D598-N602 PolarHBondContact O-N 3.01Å; D598-N602 PolarHBondContact O-ND2 2.79Å
599	R	78.9	Confident	71.8	Confident	118 Å²	118	59.1 Å²	59.1	45%	0.445	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-43.6	176.3	-82.9	-177.3	-78.8	172.8	-3.7	112	E556 G595 A596 A597 N602 Q603	E556-R599 HydrophobicContact CG-CB 4.44Å; E556-R599 WeakPolarHBondContact OE1-CB 3.48Å; E556-R599 WeakPolarHBondContact OE1-CD 3.48Å; G595-R599 WeakPolarHBondContact O-CG 3.06Å; G595-R599 PolarHBondContact O-N 3.01Å; G595-R599 PolarHBondContact O-NE 2.93Å; A596-R599 PolarHBondContact O-N 3.34Å; A597-R599 VanDerWaalsContact C-N 3.34Å; A597-R599 PolarHBondContact O-N 3.01Å; R599-N602 PolarHBondContact O-N 3.2Å; R599-Q603 PolarHBondContact O-N 3.38Å
600	V	81.6	Confident	73.6	Confident	2 Å²	2	55 Å²	55	1%	0.012	37%	0.365	C	S	.	.	H	α-helix	trans	-60.5	-47.1	175.8	171.3	0	0	0	0	111.1	L547 V559 I582 A596 A597 N602 Q603 I604	L547-V600 HydrophobicContact CB-CG1 4.2Å; L547-V600 HydrophobicContact CD1-CG1 4.37Å; V559-V600 HydrophobicContact CG2-CG1 3.98Å; I582-V600 HydrophobicContact CG2-CG1 4.34Å; A596-V600 WeakPolarHBondContact O-CG2 3.38Å; A596-V600 PolarHBondContact O-N 2.78Å; A596-V600 VanDerWaalsContact O-N 3.1Å; A597-V600 PolarHBondContact O-N 3.05Å; V600-N602 PolarHBondContact O-N 3.19Å; V600-Q603 PolarHBondContact O-N 2.96Å; V600-I604 HydrophobicContact CG1-CD1 3.97Å; V600-I604 WeakPolarHBondContact O-CG1 3.5Å; V600-I604 PolarHBondContact O-N 3.22Å
601	I	82.8	Confident	75.1	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-47.4	177.5	-64.5	162.7	0	0	0	110.7	I582 A583 A597 D598 Q603 I604 L605 I633	I582-I601 HydrophobicContact CG2-CD1 4.45Å; I582-I601 HydrophobicContact CG2-CG1 4.04Å; A583-I601 HydrophobicContact CB-CD1 4.2Å; A583-I601 HydrophobicContact CB-CG1 4.5Å; A597-I601 WeakPolarHBondContact O-CG1 3.5Å; A597-I601 PolarHBondContact O-N 3.48Å; D598-I601 PolarHBondContact O-N 2.7Å; I601-Q603 PolarHBondContact O-N 2.82Å; I601-I604 PolarHBondContact O-N 3.05Å; I601-I604 VanDerWaalsContact O-N 3.14Å; I601-L605 HydrophobicContact CG2-CD1 4.05Å; I601-L605 HydrophobicContact CG2-CG 4.19Å; I601-L605 VanDerWaalsContact O-CG 3.28Å; I601-L605 WeakPolarHBondContact O-CG 3.41Å; I601-L605 PolarHBondContact O-N 3Å; I601-I633 HydrophobicContact CG2-CD1 4.4Å
602	N	84.7	Confident	76.2	Confident	65 Å²	65	47.8 Å²	47.8	35%	0.348	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-36.9	179.1	-69.4	-36.1	0	0	0	111.6	R586 D598 R599 V600 L605 T606	R586-N602 PolarHBondContact NH2-OD1 3.4Å; D598-N602 WeakPolarHBondContact O-CB 3.48Å; D598-N602 PolarHBondContact O-N 3.01Å; D598-N602 PolarHBondContact O-ND2 2.79Å; R599-N602 PolarHBondContact O-N 3.2Å; V600-N602 PolarHBondContact O-N 3.19Å; N602-L605 PolarHBondContact O-N 3.24Å; N602-T606 WeakPolarHBondContact O-CB 3.35Å; N602-T606 PolarHBondContact O-N 3.11Å; N602-T606 PolarHBondContact O-OG1 3.45Å
603	Q	87.3	Confident	76.7	Confident	15 Å²	15	41.8 Å²	41.8	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-44.2	174.4	-170.1	58.9	45.5	0	0	111.9	E556 V559 R560 R599 V600 I601 L605 T606 E607	E556-Q603 HydrophobicContact CB-CG 4.29Å; E556-Q603 HydrophobicContact CG-CB 4.35Å; V559-Q603 HydrophobicContact CB-CB 4.39Å; V559-Q603 HydrophobicContact CB-CG 3.87Å; V559-Q603 HydrophobicContact CG1-CB 4.25Å; V559-Q603 HydrophobicContact CG1-CG 3.84Å; R560-Q603 HydrophobicContact CG-CG 4.35Å; R599-Q603 PolarHBondContact O-N 3.38Å; V600-Q603 PolarHBondContact O-N 2.96Å; I601-Q603 PolarHBondContact O-N 2.82Å; Q603-L605 VanDerWaalsContact C-N 3.31Å; Q603-L605 PolarHBondContact O-N 3.06Å; Q603-T606 WeakPolarHBondContact O-CB 3.42Å; Q603-T606 PolarHBondContact O-N 3.33Å; Q603-T606 VanDerWaalsContact O-N 3.14Å; Q603-E607 PolarHBondContact NE2-OE1 2.81Å; Q603-E607 WeakPolarHBondContact O-CG 3.16Å; Q603-E607 PolarHBondContact O-N 2.84Å
604	I	88.3	Confident	77.2	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.072	29%	0.289	C	S	.	.	H	α-helix	trans	-56.8	-46.9	174.4	-68.1	168.9	0	0	0	110.1	L547 V559 F563 F576 V600 I601 T606 E607 M608	L547-I604 HydrophobicContact CD1-CD1 4.1Å; V559-I604 HydrophobicContact CG1-CB 4.47Å; V559-I604 HydrophobicContact CG1-CG1 3.65Å; V559-I604 HydrophobicContact CG2-CG1 4.34Å; F563-I604 HydrophobicContact CE2-CG2 4.36Å; F563-I604 HydrophobicContact CZ-CG2 4.19Å; F576-I604 HydrophobicContact CE1-CD1 4.13Å; F576-I604 HydrophobicContact CZ-CG2 4.42Å; V600-I604 HydrophobicContact CG1-CD1 3.97Å; V600-I604 WeakPolarHBondContact O-CG1 3.5Å; V600-I604 PolarHBondContact O-N 3.22Å; I601-I604 PolarHBondContact O-N 3.05Å; I601-I604 VanDerWaalsContact O-N 3.14Å; I604-T606 VanDerWaalsContact C-N 3.3Å; I604-T606 PolarHBondContact O-N 3.14Å; I604-E607 PolarHBondContact O-N 3.29Å; I604-M608 HydrophobicContact CG2-CG 4.21Å; I604-M608 HydrophobicContact CG2-SD 3.94Å; I604-M608 WeakPolarHBondContact O-CB 3.47Å; I604-M608 VanDerWaalsContact O-CG 3.23Å; I604-M608 WeakPolarHBondContact O-CG 3.33Å; I604-M608 PolarHBondContact O-N 3.43Å
605	L	88.3	Confident	77.7	Confident	10 Å²	10	50.2 Å²	50.2	5%	0.052	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-41.4	177.5	-67.5	178.9	0	0	0	112	I601 N602 Q603 M608 D609 A632 I633	I601-L605 HydrophobicContact CG2-CD1 4.05Å; I601-L605 HydrophobicContact CG2-CG 4.19Å; I601-L605 VanDerWaalsContact O-CG 3.28Å; I601-L605 WeakPolarHBondContact O-CG 3.41Å; I601-L605 PolarHBondContact O-N 3Å; N602-L605 PolarHBondContact O-N 3.24Å; Q603-L605 VanDerWaalsContact C-N 3.31Å; Q603-L605 PolarHBondContact O-N 3.06Å; L605-M608 PolarHBondContact O-N 3.19Å; L605-D609 WeakPolarHBondContact O-CB 3.43Å; L605-D609 VanDerWaalsContact O-CG 3.24Å; L605-D609 PolarHBondContact O-N 3.22Å; L605-A632 HydrophobicContact CD1-CB 3.85Å; L605-I633 HydrophobicContact CD2-CB 4.48Å; L605-I633 HydrophobicContact CD2-CG1 3.85Å
606	T	88.6	Confident	78.2	Confident	82 Å²	82	52.6 Å²	52.6	50%	0.503	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-42.8	177.1	-56.3	0	0	0	0	111.3	N602 Q603 I604 G610	N602-T606 WeakPolarHBondContact O-CB 3.35Å; N602-T606 PolarHBondContact O-N 3.11Å; N602-T606 PolarHBondContact O-OG1 3.45Å; Q603-T606 WeakPolarHBondContact O-CB 3.42Å; Q603-T606 PolarHBondContact O-N 3.33Å; Q603-T606 VanDerWaalsContact O-N 3.14Å; I604-T606 VanDerWaalsContact C-N 3.3Å; I604-T606 PolarHBondContact O-N 3.14Å; T606-G610 PolarHBondContact O-N 3.42Å
607	E	89.3	Confident	79.1	Confident	30 Å²	30	51.9 Å²	51.9	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-68.6	-39.2	177.1	-67.1	-53.6	141.5	0	0	112.7	V559 R560 F563 Q603 I604 G610 M611	V559-E607 HydrophobicContact CG1-CG 4.33Å; R560-E607 WeakPolarHBondContact CG-OE1 3.4Å; F563-E607 HydrophobicContact CB-CB 4.1Å; F563-E607 HydrophobicContact CB-CG 4.13Å; F563-E607 HydrophobicContact CD1-CB 3.6Å; F563-E607 HydrophobicContact CD1-CG 4.5Å; F563-E607 HydrophobicContact CD2-CB 3.61Å; F563-E607 HydrophobicContact CD2-CG 3.84Å; F563-E607 HydrophobicContact CE1-CB 3.8Å; F563-E607 HydrophobicContact CE2-CB 3.8Å; F563-E607 HydrophobicContact CE2-CG 4.34Å; F563-E607 HydrophobicContact CG-CB 3.5Å; F563-E607 HydrophobicContact CG-CG 3.92Å; F563-E607 HydrophobicContact CZ-CB 3.89Å; Q603-E607 PolarHBondContact NE2-OE1 2.81Å; Q603-E607 WeakPolarHBondContact O-CG 3.16Å; Q603-E607 PolarHBondContact O-N 2.84Å; I604-E607 PolarHBondContact O-N 3.29Å; E607-G610 PolarHBondContact O-N 3.42Å; E607-M611 WeakPolarHBondContact O-CB 3.49Å; E607-M611 PolarHBondContact O-N 2.55Å
608	M	86.9	Confident	80	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-42.7	175	-71.2	-178.4	77.8	0	0	112.3	K512 F563 I604 L605 M611 I619 R638 L639	K512-M608 PolarHBondContact NZ-O 2.81Å; F563-M608 HydrophobicContact CE1-CG 4.17Å; F563-M608 HydrophobicContact CZ-CG 4.03Å; I604-M608 HydrophobicContact CG2-CG 4.21Å; I604-M608 HydrophobicContact CG2-SD 3.94Å; I604-M608 WeakPolarHBondContact O-CB 3.47Å; I604-M608 VanDerWaalsContact O-CG 3.23Å; I604-M608 WeakPolarHBondContact O-CG 3.33Å; I604-M608 PolarHBondContact O-N 3.43Å; L605-M608 PolarHBondContact O-N 3.19Å; M608-M611 WeakPolarHBondContact O-CB 3.4Å; M608-M611 PolarHBondContact O-N 3.08Å; M608-I619 HydrophobicContact CB-CD1 4.39Å; M608-I619 HydrophobicContact CE-CD1 4.05Å; M608-I619 HydrophobicContact CE-CG2 4.39Å; M608-I619 HydrophobicContact CG-CD1 3.7Å; M608-R638 HydrophobicContact CB-CG 4.49Å; M608-R638 HydrophobicContact CE-CB 3.64Å; M608-R638 HydrophobicContact CE-CG 4.34Å; M608-R638 HydrophobicContact SD-CB 4.49Å; M608-L639 HydrophobicContact CE-CD2 3.59Å; M608-L639 HydrophobicContact CE-CG 3.75Å
609	D	84.7	Confident	80.8	Confident	82 Å²	82	49.2 Å²	49.2	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-70.3	-41.1	178.2	-69.1	-14.5	0	0	0	111	L605 M611 R638	L605-D609 WeakPolarHBondContact O-CB 3.43Å; L605-D609 VanDerWaalsContact O-CG 3.24Å; L605-D609 PolarHBondContact O-N 3.22Å; D609-M611 PolarHBondContact O-N 3.17Å; D609-R638 WeakPolarHBondContact OD1-CG 3.44Å; D609-R638 IonicContact OD1-CZ 3.75Å; D609-R638 IonicContact OD1-NE 3.65Å; D609-R638 PolarHBondContact OD1-NE 3.23Å; D609-R638 IonicContact OD1-NH2 3.73Å; D609-R638 IonicContact OD2-CZ 4Å; D609-R638 IonicContact OD2-NE 3.65Å; D609-R638 IonicContact OD2-NH2 2.78Å; D609-R638 PolarHBondContact OD2-NH2 2.9Å
610	G	79.6	Confident	81.5	Confident	65 Å²	65	43.6 Å²	43.6	67%	0.67	25%	0.245	S	C	*	.	H	α-helix	trans	-68.6	-15.2	176.5	0	0	0	0	0	114.4	T606 E607 S612	T606-G610 PolarHBondContact O-N 3.42Å; E607-G610 PolarHBondContact O-N 3.42Å; G610-S612 PolarHBondContact O-N 3.43Å
611	M	75.6	Confident	82.1	Confident	9 Å²	9	43.5 Å²	43.5	4%	0.044	25%	0.245	C	C	.	.	S	Bend	trans	-71	112.8	177.5	-163.9	179.7	-69.9	0	0	110.8	K512 F563 E607 M608 D609 V617 I619	K512-M611 WeakPolarHBondContact CE-O 3.5Å; K512-M611 PolarHBondContact NZ-O 3.34Å; F563-M611 HydrophobicContact CD1-CE 3.37Å; F563-M611 HydrophobicContact CE1-CE 3.52Å; E607-M611 WeakPolarHBondContact O-CB 3.49Å; E607-M611 PolarHBondContact O-N 2.55Å; M608-M611 WeakPolarHBondContact O-CB 3.4Å; M608-M611 PolarHBondContact O-N 3.08Å; D609-M611 PolarHBondContact O-N 3.17Å; M611-V617 HydrophobicContact CE-CB 4.27Å; M611-V617 HydrophobicContact CE-CG1 3.79Å; M611-V617 HydrophobicContact SD-CB 3.78Å; M611-V617 HydrophobicContact SD-CG1 3.87Å; M611-I619 HydrophobicContact CE-CD1 3.64Å; M611-I619 HydrophobicContact CE-CG1 4.06Å; M611-I619 HydrophobicContact SD-CD1 3.97Å; M611-I619 HydrophobicContact SD-CG1 4.21Å
612	S	67	Low	82.6	Confident	64 Å²	64	43.3 Å²	43.3	45%	0.448	24%	0.244	S	C	.	.			trans	-65.7	133.8	173.6	-177.4	0	0	0	0	110.6	G610 K614 K615	G610-S612 PolarHBondContact O-N 3.43Å; S612-K614 PolarHBondContact O-N 3.05Å; S612-K614 PolarHBondContact OG-N 3.26Å; S612-K615 PolarHBondContact O-N 2.98Å
613	S	62.4	Low	82.9	Confident	60 Å²	60	40.2 Å²	40.2	42%	0.42	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-8.6	175.6	52.1	0	0	0	0	114.4
614	K	60.4	Low	83.1	Confident	187 Å²	187	41.2 Å²	41.2	81%	0.813	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-12.6	175.5	-64.2	-172.6	179.3	-177	0	113.8	S612	S612-K614 PolarHBondContact O-N 3.05Å; S612-K614 PolarHBondContact OG-N 3.26Å
615	K	65.4	Low	83.1	Confident	101 Å²	101	45.7 Å²	45.7	44%	0.439	25%	0.249	S	C	.	.	S	Bend	trans	-87.6	125.7	175.2	-70.9	-100.6	-178.1	178.4	0	107.3	S612 V617	S612-K615 PolarHBondContact O-N 2.98Å; K615-V617 PolarHBondContact O-N 3.48Å
616	N	76.3	Confident	83	Confident	89 Å²	89	45.8 Å²	45.8	48%	0.476	25%	0.25	S	C	.	.			trans	-72.4	60.1	178.9	-69.2	-4.8	0	0	0	111.6	P571 C572	P571-N616 WeakPolarHBondContact CA-O 3.28Å; P571-N616 HydrophobicContact CB-CB 4.24Å; C572-N616 PolarHBondContact N-O 3.35Å
617	V	87.1	Confident	82.7	Confident	11 Å²	11	46.5 Å²	46.5	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.1	174.5	-177.8	0	0	0	0	107.8	A566 R567 A570 C572 M611 K615	A566-V617 HydrophobicContact CB-CG1 4.03Å; A566-V617 WeakPolarHBondContact O-CG2 3.46Å; R567-V617 HydrophobicContact CG-CG2 4.39Å; A570-V617 HydrophobicContact CB-CG2 4.24Å; C572-V617 WeakPolarHBondContact O-CA 3.4Å; M611-V617 HydrophobicContact CE-CB 4.27Å; M611-V617 HydrophobicContact CE-CG1 3.79Å; M611-V617 HydrophobicContact SD-CB 3.78Å; M611-V617 HydrophobicContact SD-CG1 3.87Å; K615-V617 PolarHBondContact O-N 3.48Å
618	F	89.3	Confident	82.4	Confident	20 Å²	20	46.4 Å²	46.4	9%	0.088	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.1	-178.5	-169.5	-101.9	0	0	0	110.2	L492 V493 V514 C572 V573 L574 I620	L492-F618 HydrophobicContact CB-CZ 4.42Å; V493-F618 HydrophobicContact CG1-CB 4.48Å; V493-F618 HydrophobicContact CG1-CD1 4.3Å; V493-F618 HydrophobicContact CG1-CG 4.25Å; V493-F618 HydrophobicContact CG2-CD1 3.56Å; V493-F618 HydrophobicContact CG2-CD2 4.18Å; V493-F618 HydrophobicContact CG2-CE1 3.25Å; V493-F618 HydrophobicContact CG2-CE2 3.92Å; V493-F618 HydrophobicContact CG2-CG 4.01Å; V493-F618 HydrophobicContact CG2-CZ 3.44Å; V493-F618 VanDerWaalsContact CG2-CZ 3.44Å; V514-F618 HydrophobicContact CB-CE1 4.3Å; V514-F618 HydrophobicContact CB-CZ 4.24Å; V514-F618 HydrophobicContact CG2-CE1 3.99Å; V514-F618 HydrophobicContact CG2-CZ 3.52Å; C572-F618 PolarHBondContact O-N 3.25Å; V573-F618 CarbonylContact C-O 3.56Å; V573-F618 WeakPolarHBondContact CA-O 3.44Å; L574-F618 PolarHBondContact N-O 3.05Å; F618-I620 HydrophobicContact CD1-CD1 3.97Å; F618-I620 HydrophobicContact CD1-CG1 3.58Å; F618-I620 HydrophobicContact CE1-CD1 3.89Å; F618-I620 HydrophobicContact CE1-CG1 3.48Å; F618-I620 VanDerWaalsContact CE1-CG1 3.48Å
619	I	92.5	Very high	82.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.1	-175.3	-49.3	177.8	0	0	0	109.9	K512 G513 V514 F563 L574 F576 M608 M611 L639	K512-I619 PolarHBondContact O-N 3.4Å; G513-I619 CarbonylContact C-O 3.36Å; G513-I619 WeakPolarHBondContact CA-O 3.07Å; V514-I619 PolarHBondContact N-O 3Å; F563-I619 HydrophobicContact CE1-CD1 3.87Å; F563-I619 HydrophobicContact CZ-CD1 4.49Å; L574-I619 WeakPolarHBondContact O-CA 3.25Å; F576-I619 HydrophobicContact CD2-CG2 3.99Å; F576-I619 HydrophobicContact CE2-CG2 3.93Å; M608-I619 HydrophobicContact CB-CD1 4.39Å; M608-I619 HydrophobicContact CE-CD1 4.05Å; M608-I619 HydrophobicContact CE-CG2 4.39Å; M608-I619 HydrophobicContact CG-CD1 3.7Å; M611-I619 HydrophobicContact CE-CD1 3.64Å; M611-I619 HydrophobicContact CE-CG1 4.06Å; M611-I619 HydrophobicContact SD-CD1 3.97Å; M611-I619 HydrophobicContact SD-CG1 4.21Å; I619-L639 HydrophobicContact CB-CD2 4.21Å; I619-L639 HydrophobicContact CG2-CD2 3.92Å
620	I	93.9	Very high	82.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.2	174.8	-59.4	179.7	0	0	0	108.6	V514 F516 A528 I531 V573 L574 F575 F576 F618	V514-I620 CarbonylContact O-C 3.48Å; V514-I620 WeakPolarHBondContact O-CA 3.3Å; F516-I620 HydrophobicContact CD2-CG2 3.5Å; F516-I620 HydrophobicContact CE2-CD1 4.38Å; F516-I620 HydrophobicContact CE2-CG2 3.36Å; F516-I620 HydrophobicContact CG-CG2 4.26Å; F516-I620 HydrophobicContact CZ-CD1 4.45Å; F516-I620 HydrophobicContact CZ-CG2 4.01Å; A528-I620 HydrophobicContact CB-CD1 4.3Å; A528-I620 HydrophobicContact CB-CG2 4.4Å; I531-I620 HydrophobicContact CG2-CD1 4.01Å; V573-I620 HydrophobicContact CG1-CD1 3.66Å; V573-I620 HydrophobicContact CG1-CG1 4.09Å; L574-I620 PolarHBondContact O-N 3.32Å; F575-I620 CarbonylContact C-O 3.57Å; F575-I620 VanDerWaalsContact CA-O 3.29Å; F575-I620 WeakPolarHBondContact CA-O 3.3Å; F575-I620 HydrophobicContact CD2-CB 3.85Å; F575-I620 HydrophobicContact CD2-CG2 3.59Å; F575-I620 HydrophobicContact CE2-CG2 3.83Å; F576-I620 PolarHBondContact N-O 3.04Å; F618-I620 HydrophobicContact CD1-CD1 3.97Å; F618-I620 HydrophobicContact CD1-CG1 3.58Å; F618-I620 HydrophobicContact CE1-CD1 3.89Å; F618-I620 HydrophobicContact CE1-CG1 3.48Å; F618-I620 VanDerWaalsContact CE1-CG1 3.48Å
621	G	93.9	Very high	82.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	145.6	166.9	0	0	0	0	0	110.9	V514 L515 F516 F576	V514-G621 PolarHBondContact O-N 3.29Å; L515-G621 CarbonylContact C-O 3.43Å; L515-G621 WeakPolarHBondContact CA-O 3.34Å; F516-G621 PolarHBondContact N-O 2.93Å; F576-G621 CarbonylContact O-C 3.55Å; F576-G621 WeakPolarHBondContact O-CA 3.29Å
622	A	93.8	Very high	82.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.9	168.8	0	0	0	0	0	111.2	F516 K524 F575 F576 E578 L579	F516-A622 HydrophobicContact CB-CB 4.24Å; F516-A622 WeakPolarHBondContact O-CA 3.32Å; K524-A622 HydrophobicContact CB-CB 4.25Å; K524-A622 HydrophobicContact CD-CB 4.4Å; F575-A622 HydrophobicContact CE2-CB 3.67Å; F575-A622 HydrophobicContact CZ-CB 3.62Å; F576-A622 PolarHBondContact O-N 3.21Å; E578-A622 PolarHBondContact N-O 3.38Å; L579-A622 PolarHBondContact N-O 3.03Å
623	T	91.3	Very high	83.8	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.8	174.9	-177.8	0	0	0	0	111.8	L515 F516 Y517 K524 D580 R625 P626 I629	L515-T623 HydrophobicContact CD1-CG2 4.25Å; L515-T623 HydrophobicContact CD2-CG2 4.37Å; L515-T623 HydrophobicContact CG-CG2 4.43Å; F516-T623 PolarHBondContact O-N 3.07Å; Y517-T623 WeakPolarHBondContact CA-O 3.42Å; K524-T623 WeakPolarHBondContact CE-O 3.31Å; D580-T623 WeakPolarHBondContact CB-OG1 3.43Å; T623-R625 VanDerWaalsContact OG1-C 3.28Å; T623-R625 PolarHBondContact OG1-N 3.38Å; T623-R625 PolarHBondContact OG1-O 2.94Å; T623-P626 HydrophobicContact CG2-CB 4.03Å; T623-I629 HydrophobicContact CG2-CD1 3.43Å; T623-I629 VanDerWaalsContact CG2-CD1 3.43Å; T623-I629 HydrophobicContact CG2-CG1 4.37Å
624	N	91.1	Very high	84.9	Confident	36 Å²	36	41.3 Å²	41.3	19%	0.193	21%	0.205	C	C	.	.	S	Bend	trans	-89.8	-13.8	166.3	-62.5	-48.1	0	0	0	111.6	P520 K524 Y755	P520-N624 VanDerWaalsContact CA-OD1 3.32Å; P520-N624 WeakPolarHBondContact CA-OD1 3.42Å; K524-N624 WeakPolarHBondContact CE-OD1 3.23Å; K524-N624 PolarHBondContact NZ-OD1 2.99Å; N624-Y755 VanDerWaalsContact O-CE1 3.27Å; N624-Y755 WeakPolarHBondContact O-CE1 3.35Å; N624-Y755 PolarHBondContact O-OH 3.49Å
625	R	87.2	Confident	86.1	Confident	108 Å²	108	39.8 Å²	39.8	41%	0.408	19%	0.194	S	C	.	.			trans	-133.4	78.7	-172.4	-67.1	-163.6	59.6	-171	-5.2	111	D580 T623 D627 I628	D580-R625 HydrophobicContact CB-CB 3.83Å; T623-R625 VanDerWaalsContact OG1-C 3.28Å; T623-R625 PolarHBondContact OG1-N 3.38Å; T623-R625 PolarHBondContact OG1-O 2.94Å; R625-D627 VanDerWaalsContact C-OD1 3.26Å; R625-D627 WeakPolarHBondContact CA-OD1 3.12Å; R625-D627 WeakPolarHBondContact CB-OD1 3.38Å; R625-D627 IonicContact CZ-OD2 3.7Å; R625-D627 IonicContact NE-OD1 2.68Å; R625-D627 IonicContact NE-OD2 2.88Å; R625-D627 IonicContact NH2-OD2 3.51Å; R625-D627 PolarHBondContact NH2-OD2 2.82Å; R625-D627 PolarHBondContact O-N 3.32Å; R625-I628 HydrophobicContact CB-CD1 3.8Å; R625-I628 HydrophobicContact CB-CG1 3.7Å; R625-I628 VanDerWaalsContact NH2-CG2 3.32Å; R625-I628 WeakPolarHBondContact O-CG1 3.36Å; R625-I628 PolarHBondContact O-N 2.81Å
626	P	85.9	Confident	86.9	Confident	11 Å²	11	40.5 Å²	40.5	7%	0.071	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-74.1	-14.4	-177.7	36.2	-40.1	0	0	0	112.6	Y517 T623 I628 I629 F758	Y517-P626 HydrophobicContact CD2-CB 4.3Å; Y517-P626 HydrophobicContact CD2-CG 3.98Å; Y517-P626 HydrophobicContact CG-CB 4.29Å; Y517-P626 HydrophobicContact CG-CG 4.42Å; T623-P626 HydrophobicContact CG2-CB 4.03Å; P626-I628 PolarHBondContact O-N 3.23Å; P626-I629 PolarHBondContact O-N 2.87Å; P626-F758 HydrophobicContact CB-CD1 4.01Å; P626-F758 HydrophobicContact CB-CE1 3.27Å; P626-F758 HydrophobicContact CB-CZ 3.58Å; P626-F758 HydrophobicContact CG-CD1 3.55Å; P626-F758 HydrophobicContact CG-CE1 3.37Å; P626-F758 HydrophobicContact CG-CG 4.2Å; P626-F758 HydrophobicContact CG-CZ 3.91Å; P626-F758 WeakPolarHBondContact O-CZ 3.46Å
627	D	82.8	Confident	87.1	Confident	98 Å²	98	37.5 Å²	37.5	52%	0.524	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-61.8	-26.7	174.6	57.4	-57.2	0	0	0	113.8	R625	R625-D627 VanDerWaalsContact C-OD1 3.26Å; R625-D627 WeakPolarHBondContact CA-OD1 3.12Å; R625-D627 WeakPolarHBondContact CB-OD1 3.38Å; R625-D627 IonicContact CZ-OD2 3.7Å; R625-D627 IonicContact NE-OD1 2.68Å; R625-D627 IonicContact NE-OD2 2.88Å; R625-D627 IonicContact NH2-OD2 3.51Å; R625-D627 PolarHBondContact NH2-OD2 2.82Å; R625-D627 PolarHBondContact O-N 3.32Å
628	I	83.3	Confident	87.1	Confident	27 Å²	27	38.3 Å²	38.3	14%	0.138	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-107.4	1	-176.8	54.9	167.9	0	0	0	113.6	D580 K584 A585 R625 P626	D580-I628 HydrophobicContact CB-CD1 3.78Å; D580-I628 HydrophobicContact CB-CG1 4.29Å; K584-I628 CarbonylContact C-O 3.59Å; K584-I628 WeakPolarHBondContact CA-O 3.45Å; K584-I628 HydrophobicContact CG-CD1 3.94Å; A585-I628 PolarHBondContact N-O 3.24Å; R625-I628 HydrophobicContact CB-CD1 3.8Å; R625-I628 HydrophobicContact CB-CG1 3.7Å; R625-I628 VanDerWaalsContact NH2-CG2 3.32Å; R625-I628 WeakPolarHBondContact O-CG1 3.36Å; R625-I628 PolarHBondContact O-N 2.81Å; P626-I628 PolarHBondContact O-N 3.23Å
629	I	84.4	Confident	87.1	Confident	9 Å²	9	37.6 Å²	37.6	5%	0.046	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-67.9	138.4	-179.3	-81.3	-168.4	0	0	0	111.4	L515 A583 T623 P626 P631 I633 L634	L515-I629 HydrophobicContact CD1-CD1 3.96Å; L515-I629 HydrophobicContact CD2-CD1 3.77Å; A583-I629 WeakPolarHBondContact O-CA 3.44Å; T623-I629 HydrophobicContact CG2-CD1 3.43Å; T623-I629 VanDerWaalsContact CG2-CD1 3.43Å; T623-I629 HydrophobicContact CG2-CG1 4.37Å; P626-I629 PolarHBondContact O-N 2.87Å; I629-P631 VanDerWaalsContact O-CD 3.23Å; I629-P631 WeakPolarHBondContact O-CD 3.25Å; I629-I633 HydrophobicContact CG2-CB 4.47Å; I629-I633 HydrophobicContact CG2-CD1 4.5Å; I629-L634 HydrophobicContact CG2-CD2 4.08Å; I629-L634 HydrophobicContact CG2-CG 4.24Å
630	D	83.8	Confident	86.6	Confident	14 Å²	14	38.6 Å²	38.6	8%	0.075	20%	0.204	C	C	.	.			trans	-58.2	116.5	169.8	-170	-33.1	0	0	0	109.9	A583 R586 A632 I633	A583-D630 PolarHBondContact O-N 2.91Å; R586-D630 IonicContact CZ-OD2 3.89Å; R586-D630 IonicContact NE-OD2 3.27Å; R586-D630 PolarHBondContact NE-OD2 3.48Å; R586-D630 IonicContact NH2-OD2 3.61Å; D630-A632 PolarHBondContact O-N 3.3Å; D630-A632 WeakPolarHBondContact OD1-CB 3.47Å; D630-A632 PolarHBondContact OD1-N 2.96Å; D630-I633 HydrophobicContact CB-CD1 4.38Å; D630-I633 HydrophobicContact CB-CG1 4.5Å; D630-I633 PolarHBondContact O-N 2.9Å
631	P	83.1	Confident	86.4	Confident	90 Å²	90	41.1 Å²	41.1	58%	0.584	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.6	-179.5	-24.9	35	0	0	0	114.1	I629 I633 L634	I629-P631 VanDerWaalsContact O-CD 3.23Å; I629-P631 WeakPolarHBondContact O-CD 3.25Å; P631-I633 PolarHBondContact O-N 3.5Å; P631-L634 PolarHBondContact O-N 3.23Å
632	A	85.4	Confident	86.1	Confident	11 Å²	11	42.7 Å²	42.7	9%	0.091	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.4	173.7	0	0	0	0	0	112.3	L605 D630 L634 R638	L605-A632 HydrophobicContact CD1-CB 3.85Å; D630-A632 PolarHBondContact O-N 3.3Å; D630-A632 WeakPolarHBondContact OD1-CB 3.47Å; D630-A632 PolarHBondContact OD1-N 2.96Å; A632-L634 VanDerWaalsContact C-N 3.27Å; A632-L634 PolarHBondContact O-N 3.38Å; A632-R638 VanDerWaalsContact O-CD 3.26Å; A632-R638 WeakPolarHBondContact O-CD 3.44Å; A632-R638 PolarHBondContact O-NH1 2.93Å
633	I	85.8	Confident	86	Confident	9 Å²	9	42.8 Å²	42.8	5%	0.046	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-30	180	-61.2	172.7	0	0	0	111.2	A583 I601 L605 I629 D630 P631 R635 R638 L639	A583-I633 HydrophobicContact CB-CD1 3.72Å; I601-I633 HydrophobicContact CG2-CD1 4.4Å; L605-I633 HydrophobicContact CD2-CB 4.48Å; L605-I633 HydrophobicContact CD2-CG1 3.85Å; I629-I633 HydrophobicContact CG2-CB 4.47Å; I629-I633 HydrophobicContact CG2-CD1 4.5Å; D630-I633 HydrophobicContact CB-CD1 4.38Å; D630-I633 HydrophobicContact CB-CG1 4.5Å; D630-I633 PolarHBondContact O-N 2.9Å; P631-I633 PolarHBondContact O-N 3.5Å; I633-R635 VanDerWaalsContact C-N 3.29Å; I633-R635 PolarHBondContact O-N 3.5Å; I633-R638 VanDerWaalsContact O-CB 3.3Å; I633-R638 WeakPolarHBondContact O-CB 3.46Å; I633-L639 HydrophobicContact CG2-CB 4.16Å; I633-L639 HydrophobicContact CG2-CD1 3.55Å; I633-L639 HydrophobicContact CG2-CG 3.79Å; I633-L639 PolarHBondContact O-N 2.77Å; I633-L639 VanDerWaalsContact O-N 3.13Å
634	L	85.8	Confident	86.1	Confident	46 Å²	46	45.3 Å²	45.3	24%	0.241	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.1	-175.3	-50.7	-172.9	0	0	0	114.2	L515 I629 P631 A632 L642	L515-L634 HydrophobicContact CD2-CD2 3.43Å; L515-L634 VanDerWaalsContact CD2-CD2 3.43Å; I629-L634 HydrophobicContact CG2-CD2 4.08Å; I629-L634 HydrophobicContact CG2-CG 4.24Å; P631-L634 PolarHBondContact O-N 3.23Å; A632-L634 VanDerWaalsContact C-N 3.27Å; A632-L634 PolarHBondContact O-N 3.38Å; L634-L642 HydrophobicContact CD2-CD2 3.86Å
635	R	86.7	Confident	86.2	Confident	154 Å²	154	43.6 Å²	43.6	58%	0.581	23%	0.225	S	C	*	.	S	Bend	trans	-70.6	147.7	-176.6	-69	-177.2	179.7	-179.2	0.4	111.3	I633 G637 R638	I633-R635 VanDerWaalsContact C-N 3.29Å; I633-R635 PolarHBondContact O-N 3.5Å; R635-G637 PolarHBondContact O-N 3.01Å; R635-R638 WeakPolarHBondContact O-CB 3.45Å; R635-R638 PolarHBondContact O-N 3.36Å; R635-R638 VanDerWaalsContact O-N 3.08Å
636	P	82.2	Confident	86.5	Confident	117 Å²	117	40.7 Å²	40.7	76%	0.76	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.7	133.4	173.5	-29.1	36.2	0	0	0	112.5
637	G	79.2	Confident	86.9	Confident	26 Å²	26	41.6 Å²	41.6	27%	0.268	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-0.1	-175.9	0	0	0	0	0	115.4	K512 R635 D640	K512-G637 WeakPolarHBondContact CD-O 3.34Å; R635-G637 PolarHBondContact O-N 3.01Å; G637-D640 PolarHBondContact N-OD2 2.86Å
638	R	88.6	Confident	87.4	Confident	28 Å²	28	37.6 Å²	37.6	11%	0.106	20%	0.203	C	C	.	.	S	Bend	trans	-116.1	-115.4	173.5	-64.2	173.8	177.9	179.2	-3.6	110.3	G513 M608 D609 A632 I633 R635 D640	G513-R638 PolarHBondContact N-O 3.09Å; M608-R638 HydrophobicContact CB-CG 4.49Å; M608-R638 HydrophobicContact CE-CB 3.64Å; M608-R638 HydrophobicContact CE-CG 4.34Å; M608-R638 HydrophobicContact SD-CB 4.49Å; D609-R638 WeakPolarHBondContact OD1-CG 3.44Å; D609-R638 IonicContact OD1-CZ 3.75Å; D609-R638 IonicContact OD1-NE 3.65Å; D609-R638 PolarHBondContact OD1-NE 3.23Å; D609-R638 IonicContact OD1-NH2 3.73Å; D609-R638 IonicContact OD2-CZ 4Å; D609-R638 IonicContact OD2-NE 3.65Å; D609-R638 IonicContact OD2-NH2 2.78Å; D609-R638 PolarHBondContact OD2-NH2 2.9Å; A632-R638 VanDerWaalsContact O-CD 3.26Å; A632-R638 WeakPolarHBondContact O-CD 3.44Å; A632-R638 PolarHBondContact O-NH1 2.93Å; I633-R638 VanDerWaalsContact O-CB 3.3Å; I633-R638 WeakPolarHBondContact O-CB 3.46Å; R635-R638 WeakPolarHBondContact O-CB 3.45Å; R635-R638 PolarHBondContact O-N 3.36Å; R635-R638 VanDerWaalsContact O-N 3.08Å; R638-D640 PolarHBondContact O-N 3.2Å
639	L	88.5	Confident	87.9	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	22%	0.219	C	C	.	.	S	Bend	trans	-94.2	72.9	169.8	-56.4	-171.5	0	0	0	109.2	L515 L579 M608 I619 I633	L515-L639 HydrophobicContact CB-CB 4.08Å; L515-L639 HydrophobicContact CB-CD1 4.08Å; L515-L639 HydrophobicContact CD1-CD1 3.83Å; L579-L639 HydrophobicContact CD1-CD1 4.2Å; M608-L639 HydrophobicContact CE-CD2 3.59Å; M608-L639 HydrophobicContact CE-CG 3.75Å; I619-L639 HydrophobicContact CB-CD2 4.21Å; I619-L639 HydrophobicContact CG2-CD2 3.92Å; I633-L639 HydrophobicContact CG2-CB 4.16Å; I633-L639 HydrophobicContact CG2-CD1 3.55Å; I633-L639 HydrophobicContact CG2-CG 3.79Å; I633-L639 PolarHBondContact O-N 2.77Å; I633-L639 VanDerWaalsContact O-N 3.13Å
640	D	82.4	Confident	88.4	Confident	23 Å²	23	44 Å²	44	12%	0.123	24%	0.235	C	C	.	.			trans	-88.3	-17.5	-173.5	54.6	15.8	0	0	0	113.4	S511 G513 G637 R638 R766	S511-D640 WeakPolarHBondContact CB-OD1 3.41Å; G513-D640 PolarHBondContact O-N 3.06Å; G637-D640 PolarHBondContact N-OD2 2.86Å; R638-D640 PolarHBondContact O-N 3.2Å; D640-R766 VanDerWaalsContact O-CZ 3.24Å; D640-R766 PolarHBondContact O-NH1 2.93Å; D640-R766 VanDerWaalsContact O-NH1 3.17Å; D640-R766 PolarHBondContact O-NH2 3.42Å
641	Q	88.5	Confident	88.9	Confident	52 Å²	52	51 Å²	51	24%	0.243	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115.4	172.6	-60	-55.1	-24	0	0	110.7	L492 G513 V514 L515	L492-Q641 HydrophobicContact CD1-CB 4.02Å; L492-Q641 HydrophobicContact CD1-CG 3.98Å; L492-Q641 HydrophobicContact CD2-CG 3.93Å; G513-Q641 PolarHBondContact O-N 3.15Å; V514-Q641 CarbonylContact C-O 3.47Å; V514-Q641 VanDerWaalsContact CA-O 3.29Å; V514-Q641 WeakPolarHBondContact CA-O 3.16Å; V514-Q641 HydrophobicContact CB-CB 4.4Å; V514-Q641 HydrophobicContact CG2-CB 3.68Å; V514-Q641 HydrophobicContact CG2-CG 4.44Å; L515-Q641 PolarHBondContact N-O 2.87Å
642	L	89.4	Confident	89.4	Confident	34 Å²	34	47.4 Å²	47.4	18%	0.178	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	102.8	-177.1	-62.2	-179	0	0	0	109.2	L515 Y517 L634 L762	L515-L642 HydrophobicContact CB-CD2 3.75Å; L515-L642 HydrophobicContact CD2-CD2 3.87Å; L515-L642 HydrophobicContact CG-CD2 4.36Å; Y517-L642 HydrophobicContact CE1-CB 4.01Å; L634-L642 HydrophobicContact CD2-CD2 3.86Å; L642-L762 HydrophobicContact CD1-CD1 3.81Å; L642-L762 HydrophobicContact CD1-CD2 3.54Å; L642-L762 HydrophobicContact CD1-CG 4.21Å
643	I	91.5	Very high	89.9	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.3	-177.2	-64.8	-174.9	0	0	0	109.2	V485 E488 L489 L492 V514 L515 F516 Y517 I645	V485-I643 HydrophobicContact CB-CG2 4.48Å; V485-I643 HydrophobicContact CG1-CG2 3.59Å; V485-I643 HydrophobicContact CG2-CG2 4.18Å; E488-I643 HydrophobicContact CG-CD1 4.07Å; L489-I643 HydrophobicContact CD2-CD1 3.99Å; L489-I643 HydrophobicContact CG-CD1 4.32Å; L492-I643 HydrophobicContact CD1-CD1 4.01Å; V514-I643 HydrophobicContact CG1-CB 4.2Å; V514-I643 HydrophobicContact CG1-CD1 3.73Å; V514-I643 HydrophobicContact CG1-CG1 3.91Å; V514-I643 HydrophobicContact CG2-CD1 4.34Å; L515-I643 PolarHBondContact O-N 2.63Å; F516-I643 HydrophobicContact CD1-CB 3.93Å; F516-I643 HydrophobicContact CD1-CG2 4.05Å; F516-I643 HydrophobicContact CE1-CB 4.18Å; F516-I643 HydrophobicContact CE1-CD1 4.15Å; F516-I643 HydrophobicContact CE1-CG2 4.15Å; Y517-I643 WeakPolarHBondContact CD1-O 3.5Å; Y517-I643 PolarHBondContact N-O 3.33Å; Y517-I643 VanDerWaalsContact N-O 3.07Å; I643-I645 HydrophobicContact CG2-CG1 4.32Å
644	Y	92.6	Very high	90.3	Very high	54 Å²	54	47.9 Å²	47.9	21%	0.212	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	125.7	174.9	179	-129.7	0	0	0	110.4	Y517 P646 A759	Y517-Y644 AromaticContact CD2-CD2 3.85Å; Y517-Y644 HydrophobicContact CD2-CD2 3.85Å; Y517-Y644 AromaticContact CE2-CD2 3.52Å; Y517-Y644 HydrophobicContact CE2-CD2 3.52Å; Y517-Y644 HydrophobicContact CE2-CE2 4.42Å; Y517-Y644 HydrophobicContact CE2-CG 4.05Å; Y517-Y644 WeakPolarHBondContact O-CA 3.43Å; Y644-P646 HydrophobicContact CD1-CB 4.36Å; Y644-P646 HydrophobicContact CE1-CB 3.67Å; Y644-P646 HydrophobicContact CE1-CG 4.43Å; Y644-P646 WeakPolarHBondContact O-CD 3.46Å; Y644-A759 HydrophobicContact CD1-CB 4.24Å; Y644-A759 HydrophobicContact CG-CB 4.22Å
645	I	94.1	Very high	90.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.			trans	-110.2	102.2	176.1	-68.2	161	0	0	0	107.9	L482 F516 Y517 G518 P519 C522 K524 L527 I643	L482-I645 HydrophobicContact CD1-CG2 3.87Å; F516-I645 HydrophobicContact CB-CD1 3.86Å; F516-I645 HydrophobicContact CD1-CD1 3.68Å; F516-I645 HydrophobicContact CD2-CD1 4.35Å; F516-I645 HydrophobicContact CE1-CD1 4.32Å; F516-I645 HydrophobicContact CG-CD1 3.72Å; Y517-I645 PolarHBondContact O-N 3.32Å; G518-I645 WeakPolarHBondContact CA-O 3.37Å; P519-I645 WeakPolarHBondContact CD-O 3.01Å; C522-I645 HydrophobicContact CB-CG2 3.76Å; C522-I645 WeakPolarHBondContact O-CG2 3.45Å; K524-I645 HydrophobicContact CB-CD1 4.28Å; K524-I645 HydrophobicContact CD-CD1 4.45Å; K524-I645 HydrophobicContact CG-CB 4.35Å; K524-I645 HydrophobicContact CG-CD1 3.67Å; K524-I645 HydrophobicContact CG-CG2 4.41Å; L527-I645 HydrophobicContact CD1-CD1 3.5Å; L527-I645 HydrophobicContact CD1-CG1 4.04Å; I643-I645 HydrophobicContact CG2-CG1 4.32Å
646	P	93.1	Very high	91.1	Very high	47 Å²	47	41.9 Å²	41.9	31%	0.305	23%	0.226	S	C	.	.			trans	-77.8	175.4	-177.8	31.7	-35.7	0	0	0	112.6	L482 Y644	L482-P646 HydrophobicContact CD2-CG 4.26Å; Y644-P646 HydrophobicContact CD1-CB 4.36Å; Y644-P646 HydrophobicContact CE1-CB 3.67Å; Y644-P646 HydrophobicContact CE1-CG 4.43Å; Y644-P646 WeakPolarHBondContact O-CD 3.46Å
647	L	93.7	Very high	91.7	Very high	30 Å²	30	36.4 Å²	36.4	16%	0.157	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-63.5	148.7	162.8	-74	172.6	0	0	0	110.6	P519 D649 V747 I752	P519-L647 HydrophobicContact CB-CD2 4.3Å; P519-L647 HydrophobicContact CB-CG 4.49Å; P519-L647 HydrophobicContact CG-CD2 4.16Å; P519-L647 HydrophobicContact CG-CG 3.9Å; L647-D649 PolarHBondContact O-N 3.34Å; L647-V747 HydrophobicContact CD1-CB 4.3Å; L647-V747 HydrophobicContact CD1-CG1 4.31Å; L647-V747 HydrophobicContact CD2-CB 4.44Å; L647-V747 HydrophobicContact CD2-CG2 4.1Å; L647-I752 HydrophobicContact CD1-CD1 3.4Å; L647-I752 VanDerWaalsContact CD1-CD1 3.4Å; L647-I752 HydrophobicContact CD1-CG1 3.65Å
648	P	94.2	Very high	92.3	Very high	13 Å²	13	40.9 Å²	40.9	8%	0.084	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-67.4	132.9	-177.9	27.5	-35.5	0	0	0	112.7	R653 I656 F682	P648-R653 HydrophobicContact CB-CG 3.8Å; P648-R653 HydrophobicContact CG-CG 3.8Å; P648-R653 PolarHBondContact O-NH1 2.92Å; P648-I656 HydrophobicContact CB-CD1 3.61Å; P648-I656 HydrophobicContact CG-CD1 3.93Å; P648-F682 WeakPolarHBondContact CD-O 3.47Å; P648-F682 VanDerWaalsContact CG-O 3.32Å; P648-F682 WeakPolarHBondContact CG-O 3.13Å
649	D	93.6	Very high	92.5	Very high	87 Å²	87	40.4 Å²	40.4	47%	0.465	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-71.2	172.3	168.1	76.7	-25.7	0	0	0	111.4	L647 K651 S652 R653	L647-D649 PolarHBondContact O-N 3.34Å; D649-K651 VanDerWaalsContact C-N 3.25Å; D649-K651 PolarHBondContact O-N 3.38Å; D649-S652 PolarHBondContact O-N 2.93Å; D649-S652 VanDerWaalsContact O-N 3.08Å; D649-S652 WeakPolarHBondContact OD1-CA 3.33Å; D649-S652 WeakPolarHBondContact OD1-CB 3.17Å; D649-S652 PolarHBondContact OD1-N 3.17Å; D649-S652 PolarHBondContact OD1-OG 2.82Å; D649-R653 WeakPolarHBondContact O-CG 3.06Å; D649-R653 PolarHBondContact O-N 3.41Å
650	E	94.1	Very high	92.6	Very high	85 Å²	85	42.9 Å²	42.9	40%	0.397	22%	0.217	S	C	.	.	H	α-helix	trans	-55	-41.4	-176.5	-173	176.9	163.5	0	0	112.5	R653 I654 A676 K677	E650-R653 PolarHBondContact O-N 2.85Å; E650-I654 WeakPolarHBondContact O-CG1 3.38Å; E650-I654 PolarHBondContact O-N 2.97Å; E650-A676 HydrophobicContact CG-CB 4.46Å; E650-K677 WeakPolarHBondContact OE1-CE 3.47Å; E650-K677 WeakPolarHBondContact OE1-CG 3.47Å
651	K	94.4	Very high	93.1	Very high	161 Å²	161	42 Å²	42	70%	0.7	21%	0.213	S	C	*	.	H	α-helix	trans	-64	-46.4	176.3	-68.5	-177.9	177.9	179.8	0	111.9	D649 R653 I654 S655	D649-K651 VanDerWaalsContact C-N 3.25Å; D649-K651 PolarHBondContact O-N 3.38Å; K651-R653 VanDerWaalsContact C-N 3.31Å; K651-R653 PolarHBondContact O-N 3.47Å; K651-I654 PolarHBondContact O-N 2.75Å; K651-S655 PolarHBondContact O-N 2.82Å; K651-S655 VanDerWaalsContact O-N 3.15Å; K651-S655 PolarHBondContact O-OG 2.79Å
652	S	94.2	Very high	93.2	Very high	13 Å²	13	45.5 Å²	45.5	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-39.2	177.4	-59	0	0	0	0	111.3	G481 D649 I654 S655 I656	G481-S652 WeakPolarHBondContact CA-OG 3.4Å; D649-S652 PolarHBondContact O-N 2.93Å; D649-S652 VanDerWaalsContact O-N 3.08Å; D649-S652 WeakPolarHBondContact OD1-CA 3.33Å; D649-S652 WeakPolarHBondContact OD1-CB 3.17Å; D649-S652 PolarHBondContact OD1-N 3.17Å; D649-S652 PolarHBondContact OD1-OG 2.82Å; S652-I654 PolarHBondContact O-N 2.99Å; S652-S655 PolarHBondContact O-N 3.35Å; S652-I656 WeakPolarHBondContact O-CB 3.38Å; S652-I656 WeakPolarHBondContact O-CG1 3.39Å; S652-I656 PolarHBondContact O-N 2.84Å
653	R	95.6	Very high	93.1	Very high	8 Å²	8	52.7 Å²	52.7	3%	0.03	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-41.3	177.5	-65.6	-163.7	-63.9	-87.1	3.1	112.2	P648 D649 E650 K651 I656 L657 A676 T679 L687	P648-R653 HydrophobicContact CB-CG 3.8Å; P648-R653 HydrophobicContact CG-CG 3.8Å; P648-R653 PolarHBondContact O-NH1 2.92Å; D649-R653 WeakPolarHBondContact O-CG 3.06Å; D649-R653 PolarHBondContact O-N 3.41Å; E650-R653 PolarHBondContact O-N 2.85Å; K651-R653 VanDerWaalsContact C-N 3.31Å; K651-R653 PolarHBondContact O-N 3.47Å; R653-I656 PolarHBondContact O-N 3.49Å; R653-L657 VanDerWaalsContact O-CG 3.28Å; R653-L657 WeakPolarHBondContact O-CG 3.45Å; R653-L657 PolarHBondContact O-N 3.19Å; R653-A676 HydrophobicContact CB-CB 4Å; R653-A676 VanDerWaalsContact CZ-O 3.25Å; R653-A676 PolarHBondContact NE-O 3.29Å; R653-A676 PolarHBondContact NH2-O 2.95Å; R653-T679 WeakPolarHBondContact CD-O 3.16Å; R653-T679 WeakPolarHBondContact CD-OG1 3.45Å; R653-T679 PolarHBondContact NE-O 2.95Å; R653-T679 PolarHBondContact NE-OG1 3.36Å; R653-L687 HydrophobicContact CB-CD1 3.9Å; R653-L687 HydrophobicContact CG-CD1 3.84Å
654	I	95	Very high	93.1	Very high	22 Å²	22	54.3 Å²	54.3	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-48.8	173.8	-63.2	163.9	0	0	0	110.2	E650 K651 S652 I656 L657 K658 D673 A676	E650-I654 WeakPolarHBondContact O-CG1 3.38Å; E650-I654 PolarHBondContact O-N 2.97Å; K651-I654 PolarHBondContact O-N 2.75Å; S652-I654 PolarHBondContact O-N 2.99Å; I654-I656 PolarHBondContact O-N 2.85Å; I654-L657 PolarHBondContact O-N 3.36Å; I654-K658 HydrophobicContact CG2-CD 4.18Å; I654-K658 WeakPolarHBondContact O-CG 3.25Å; I654-K658 PolarHBondContact O-N 2.9Å; I654-D673 VanDerWaalsContact CD1-OD1 3.32Å; I654-D673 WeakPolarHBondContact CD1-OD1 3.47Å; I654-A676 HydrophobicContact CB-CB 4.47Å; I654-A676 HydrophobicContact CD1-CB 4.28Å; I654-A676 HydrophobicContact CG1-CB 3.37Å
655	S	93.9	Very high	93	Very high	53 Å²	53	55.4 Å²	55.4	37%	0.371	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-39.1	-179.8	-61.3	0	0	0	0	112.5	K651 S652 K658 A659	K651-S655 PolarHBondContact O-N 2.82Å; K651-S655 VanDerWaalsContact O-N 3.15Å; K651-S655 PolarHBondContact O-OG 2.79Å; S652-S655 PolarHBondContact O-N 3.35Å; S655-K658 PolarHBondContact O-N 3.46Å; S655-A659 WeakPolarHBondContact O-CB 3.42Å; S655-A659 PolarHBondContact O-N 3.35Å
656	I	94.3	Very high	92.9	Very high	21 Å²	21	58.3 Å²	58.3	11%	0.108	29%	0.294	C	S	.	.	H	α-helix	trans	-63.9	-46.1	176.7	-69.6	163.8	0	0	0	110.6	G480 P648 S652 R653 I654 K658 A659 N660 L687	G480-I656 WeakPolarHBondContact O-CG1 3.48Å; P648-I656 HydrophobicContact CB-CD1 3.61Å; P648-I656 HydrophobicContact CG-CD1 3.93Å; S652-I656 WeakPolarHBondContact O-CB 3.38Å; S652-I656 WeakPolarHBondContact O-CG1 3.39Å; S652-I656 PolarHBondContact O-N 2.84Å; R653-I656 PolarHBondContact O-N 3.49Å; I654-I656 PolarHBondContact O-N 2.85Å; I656-K658 VanDerWaalsContact C-N 3.32Å; I656-K658 PolarHBondContact O-N 2.96Å; I656-A659 PolarHBondContact O-N 3.45Å; I656-N660 WeakPolarHBondContact O-CB 3.42Å; I656-N660 VanDerWaalsContact O-CG 3.32Å; I656-N660 PolarHBondContact O-N 3.14Å; I656-N660 PolarHBondContact O-ND2 2.95Å; I656-L687 HydrophobicContact CB-CD1 3.99Å; I656-L687 HydrophobicContact CD1-CD1 4.19Å; I656-L687 HydrophobicContact CG2-CB 4.09Å; I656-L687 HydrophobicContact CG2-CD1 3.77Å
657	L	94.4	Very high	92.9	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-43.7	176.9	-70.7	169.6	0	0	0	111.2	R653 I654 N660 L661 L672 L675 L687	R653-L657 VanDerWaalsContact O-CG 3.28Å; R653-L657 WeakPolarHBondContact O-CG 3.45Å; R653-L657 PolarHBondContact O-N 3.19Å; I654-L657 PolarHBondContact O-N 3.36Å; L657-N660 PolarHBondContact O-N 3.36Å; L657-L661 VanDerWaalsContact O-CB 3.29Å; L657-L661 WeakPolarHBondContact O-CB 3.38Å; L657-L661 VanDerWaalsContact O-CG 3.29Å; L657-L661 WeakPolarHBondContact O-CG 3.03Å; L657-L661 PolarHBondContact O-N 2.74Å; L657-L672 HydrophobicContact CB-CD2 4.33Å; L657-L675 HydrophobicContact CD1-CB 3.87Å; L657-L687 HydrophobicContact CD2-CB 4.26Å; L657-L687 HydrophobicContact CD2-CD2 4.36Å
658	K	93.1	Very high	92.7	Very high	120 Å²	120	65.6 Å²	65.6	52%	0.522	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-46	175.6	-73.4	177.6	-179.6	176.8	0	112.3	I654 S655 I656 L661 R662 L672	I654-K658 HydrophobicContact CG2-CD 4.18Å; I654-K658 WeakPolarHBondContact O-CG 3.25Å; I654-K658 PolarHBondContact O-N 2.9Å; S655-K658 PolarHBondContact O-N 3.46Å; I656-K658 VanDerWaalsContact C-N 3.32Å; I656-K658 PolarHBondContact O-N 2.96Å; K658-L661 PolarHBondContact O-N 3.24Å; K658-R662 WeakPolarHBondContact O-CB 3.44Å; K658-R662 PolarHBondContact O-N 3.41Å; K658-L672 HydrophobicContact CG-CD1 3.56Å
659	A	91.2	Very high	92.5	Very high	18 Å²	18	68.9 Å²	68.9	15%	0.149	34%	0.339	C	S	.	.	H	α-helix	trans	-61.5	-46.7	179.1	0	0	0	0	0	111.5	S655 I656 L661 R662	S655-A659 WeakPolarHBondContact O-CB 3.42Å; S655-A659 PolarHBondContact O-N 3.35Å; I656-A659 PolarHBondContact O-N 3.45Å; A659-L661 PolarHBondContact O-N 3.42Å; A659-R662 WeakPolarHBondContact O-CB 3.48Å; A659-R662 PolarHBondContact O-N 3.11Å
660	N	91.3	Very high	92.4	Very high	55 Å²	55	65.6 Å²	65.6	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-65.6	-35.2	179.5	-75.2	-20.1	0	0	0	113.4	I656 L657 T688	I656-N660 WeakPolarHBondContact O-CB 3.42Å; I656-N660 VanDerWaalsContact O-CG 3.32Å; I656-N660 PolarHBondContact O-N 3.14Å; I656-N660 PolarHBondContact O-ND2 2.95Å; L657-N660 PolarHBondContact O-N 3.36Å; N660-T688 PolarHBondContact ND2-OG1 3.24Å
661	L	92.3	Very high	92.4	Very high	5 Å²	5	65.6 Å²	65.6	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-93.5	-2.1	-176.8	-65.2	169.7	0	0	0	113.4	L657 K658 A659 K663 S664 I666 L672 C691 F736	L657-L661 VanDerWaalsContact O-CB 3.29Å; L657-L661 WeakPolarHBondContact O-CB 3.38Å; L657-L661 VanDerWaalsContact O-CG 3.29Å; L657-L661 WeakPolarHBondContact O-CG 3.03Å; L657-L661 PolarHBondContact O-N 2.74Å; K658-L661 PolarHBondContact O-N 3.24Å; A659-L661 PolarHBondContact O-N 3.42Å; L661-K663 PolarHBondContact O-N 2.83Å; L661-K663 VanDerWaalsContact O-N 3.12Å; L661-S664 PolarHBondContact O-N 2.92Å; L661-I666 HydrophobicContact CB-CG2 4.06Å; L661-I666 HydrophobicContact CD1-CG2 4.24Å; L661-I666 HydrophobicContact CD2-CG2 4.03Å; L661-I666 HydrophobicContact CG-CG2 4.33Å; L661-L672 HydrophobicContact CD1-CD2 3.83Å; L661-C691 HydrophobicContact CD2-CB 3.89Å; L661-C691 HydrophobicContact CG-CB 4.44Å; L661-F736 HydrophobicContact CD1-CE1 4.32Å; L661-F736 HydrophobicContact CD1-CZ 3.85Å; L661-F736 HydrophobicContact CD2-CZ 4.06Å
662	R	90.4	Very high	92.4	Very high	125 Å²	125	58.8 Å²	58.8	47%	0.472	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-31	-177.1	-172.2	177.7	62.3	-166.2	-6	113.6	D478 K658 A659	D478-R662 IonicContact OD1-CZ 3.8Å; D478-R662 IonicContact OD1-NH1 3.74Å; D478-R662 IonicContact OD1-NH2 2.98Å; D478-R662 PolarHBondContact OD1-NH2 3.33Å; K658-R662 WeakPolarHBondContact O-CB 3.44Å; K658-R662 PolarHBondContact O-N 3.41Å; A659-R662 WeakPolarHBondContact O-CB 3.48Å; A659-R662 PolarHBondContact O-N 3.11Å
663	K	87.6	Confident	92.4	Very high	186 Å²	186	62 Å²	62	81%	0.809	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	7.6	179.1	-61.5	-175.5	179.1	-177.1	0	113.2	L661	L661-K663 PolarHBondContact O-N 2.83Å; L661-K663 VanDerWaalsContact O-N 3.12Å
664	S	91.5	Very high	92.3	Very high	34 Å²	34	66.7 Å²	66.7	24%	0.238	33%	0.333	C	S	.	.	S	Bend	trans	-113.1	139.4	-176.6	-58.9	0	0	0	0	110.5	L661 I666	L661-S664 PolarHBondContact O-N 2.92Å; S664-I666 PolarHBondContact O-N 2.97Å
665	P	91.3	Very high	92.2	Very high	78 Å²	78	66.5 Å²	66.5	51%	0.506	33%	0.332	S	S	.	.			trans	-73.7	101.1	175.4	30	-32.9	0	0	0	109.3	P729 I731	P665-P729 WeakPolarHBondContact CB-O 3.29Å; P665-I731 WeakPolarHBondContact O-CG1 2.91Å; P665-I731 PolarHBondContact O-N 3.38Å
666	I	92.4	Very high	92.2	Very high	61 Å²	61	64 Å²	64	31%	0.313	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-103.5	139	178.1	59.6	168.6	0	0	0	110.5	L661 S664	L661-I666 HydrophobicContact CB-CG2 4.06Å; L661-I666 HydrophobicContact CD1-CG2 4.24Å; L661-I666 HydrophobicContact CD2-CG2 4.03Å; L661-I666 HydrophobicContact CG-CG2 4.33Å; S664-I666 PolarHBondContact O-N 2.97Å
667	S	92.3	Very high	92.2	Very high	22 Å²	22	68.5 Å²	68.5	15%	0.154	33%	0.333	C	S	.	.			trans	-77.6	150.8	177.3	-163.4	0	0	0	0	111.7	D669 V670 E730 I731	S667-D669 WeakPolarHBondContact CB-OD1 3.34Å; S667-D669 PolarHBondContact O-N 2.76Å; S667-D669 VanDerWaalsContact O-N 3.15Å; S667-D669 PolarHBondContact OG-OD1 3.35Å; S667-V670 PolarHBondContact O-N 2.94Å; S667-E730 VanDerWaalsContact CA-OE2 3.23Å; S667-E730 WeakPolarHBondContact CA-OE2 3.32Å; S667-E730 WeakPolarHBondContact CB-OE2 3.44Å; S667-E730 PolarHBondContact OG-OE2 2.82Å; S667-I731 PolarHBondContact N-O 3.03Å
668	K	89.9	Confident	92.1	Very high	208 Å²	208	73.1 Å²	73.1	90%	0.904	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-13.1	-176.3	-67	179.1	-178.3	171.3	0	113.4	V670	K668-V670 VanDerWaalsContact C-N 3.31Å
669	D	89.6	Confident	92.2	Very high	81 Å²	81	67.5 Å²	67.5	43%	0.433	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-9	177.8	70.6	-23.9	0	0	0	113.4	S667 D671	S667-D669 WeakPolarHBondContact CB-OD1 3.34Å; S667-D669 PolarHBondContact O-N 2.76Å; S667-D669 VanDerWaalsContact O-N 3.15Å; S667-D669 PolarHBondContact OG-OD1 3.35Å; D669-D671 PolarHBondContact O-N 3Å
670	V	92.3	Very high	92.3	Very high	19 Å²	19	72.1 Å²	72.1	12%	0.115	35%	0.353	C	S	.	.			trans	-81.7	113.3	179	-177.1	0	0	0	0	111	S667 K668 L672 L675 K733 F736	S667-V670 PolarHBondContact O-N 2.94Å; K668-V670 VanDerWaalsContact C-N 3.31Å; V670-L672 HydrophobicContact CG1-CD2 4.04Å; V670-L675 HydrophobicContact CG1-CD1 4.22Å; V670-K733 HydrophobicContact CG2-CB 4.48Å; V670-F736 HydrophobicContact CG1-CD2 3.82Å; V670-F736 HydrophobicContact CG1-CE2 3.84Å; V670-F736 HydrophobicContact CG1-CG 4.47Å; V670-F736 HydrophobicContact CG2-CD2 4.02Å; V670-F736 HydrophobicContact CG2-CE2 4.09Å
671	D	93.3	Very high	92.2	Very high	85 Å²	85	69.9 Å²	69.9	46%	0.455	34%	0.343	S	S	.	.			trans	-90.9	102.5	176.2	-175.2	-11.8	0	0	0	111.5	D669 D673 F674 L675	D669-D671 PolarHBondContact O-N 3Å; D671-D673 WeakPolarHBondContact OD1-CA 3.2Å; D671-D673 WeakPolarHBondContact OD1-CB 3.4Å; D671-D673 PolarHBondContact OD1-N 3Å; D671-F674 HydrophobicContact CB-CB 3.98Å; D671-F674 PolarHBondContact O-N 2.79Å; D671-F674 PolarHBondContact OD1-N 3.45Å; D671-L675 PolarHBondContact O-N 3.48Å
672	L	93.8	Very high	92.3	Very high	18 Å²	18	70.5 Å²	70.5	9%	0.094	35%	0.346	C	S	.	.	H	α-helix	trans	-70.7	-30	178.6	-58.7	-177	0	0	0	113	L657 K658 L661 V670 F674 L675 A676	L657-L672 HydrophobicContact CB-CD2 4.33Å; K658-L672 HydrophobicContact CG-CD1 3.56Å; L661-L672 HydrophobicContact CD1-CD2 3.83Å; V670-L672 HydrophobicContact CG1-CD2 4.04Å; L672-F674 VanDerWaalsContact C-N 3.33Å; L672-L675 HydrophobicContact CD2-CD1 4.19Å; L672-L675 PolarHBondContact O-N 2.73Å; L672-A676 WeakPolarHBondContact O-CB 3.38Å; L672-A676 PolarHBondContact O-N 3.28Å
673	D	94.4	Very high	92.5	Very high	80 Å²	80	64.5 Å²	64.5	43%	0.428	32%	0.323	S	S	.	.	H	α-helix	trans	-67.1	-38.8	176.8	-69.2	-97.7	0	0	0	110.3	I654 D671 A676 K677	I654-D673 VanDerWaalsContact CD1-OD1 3.32Å; I654-D673 WeakPolarHBondContact CD1-OD1 3.47Å; D671-D673 WeakPolarHBondContact OD1-CA 3.2Å; D671-D673 WeakPolarHBondContact OD1-CB 3.4Å; D671-D673 PolarHBondContact OD1-N 3Å; D673-A676 PolarHBondContact O-N 2.84Å; D673-K677 PolarHBondContact O-N 2.95Å
674	F	93.5	Very high	92.8	Very high	107 Å²	107	56.2 Å²	56.2	47%	0.469	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-46.6	172.8	179.3	-102.5	0	0	0	112.3	D671 L672 A676 K677 M678	D671-F674 HydrophobicContact CB-CB 3.98Å; D671-F674 PolarHBondContact O-N 2.79Å; D671-F674 PolarHBondContact OD1-N 3.45Å; L672-F674 VanDerWaalsContact C-N 3.33Å; F674-A676 VanDerWaalsContact C-N 3.28Å; F674-A676 PolarHBondContact O-N 3.45Å; F674-K677 PolarHBondContact O-N 3.3Å; F674-K677 VanDerWaalsContact O-N 3.14Å; F674-M678 HydrophobicContact CD1-CG 4.38Å; F674-M678 HydrophobicContact CE1-CG 3.88Å; F674-M678 HydrophobicContact CE2-CE 4.34Å; F674-M678 HydrophobicContact CE2-CG 4.14Å; F674-M678 HydrophobicContact CE2-SD 4.3Å; F674-M678 HydrophobicContact CZ-CG 3.75Å; F674-M678 HydrophobicContact CZ-SD 4.05Å; F674-M678 WeakPolarHBondContact O-CG 3.47Å; F674-M678 PolarHBondContact O-N 3.2Å
675	L	93.1	Very high	92.9	Very high	17 Å²	17	56.9 Å²	56.9	9%	0.089	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-39.9	176.8	-71.7	174	0	0	0	111.8	L657 V670 D671 L672 K677 M678 T679 F736	L657-L675 HydrophobicContact CD1-CB 3.87Å; V670-L675 HydrophobicContact CG1-CD1 4.22Å; D671-L675 PolarHBondContact O-N 3.48Å; L672-L675 HydrophobicContact CD2-CD1 4.19Å; L672-L675 PolarHBondContact O-N 2.73Å; L675-K677 VanDerWaalsContact C-N 3.34Å; L675-K677 PolarHBondContact O-N 3.11Å; L675-M678 PolarHBondContact O-N 3.49Å; L675-T679 WeakPolarHBondContact O-CB 3.29Å; L675-T679 VanDerWaalsContact O-CG2 3.3Å; L675-T679 WeakPolarHBondContact O-CG2 3.32Å; L675-T679 PolarHBondContact O-N 3.32Å; L675-T679 VanDerWaalsContact O-N 3.16Å; L675-T679 PolarHBondContact O-OG1 3.48Å; L675-F736 HydrophobicContact CD1-CB 4.47Å; L675-F736 HydrophobicContact CD1-CD1 3.85Å; L675-F736 HydrophobicContact CD1-CE1 4.28Å; L675-F736 HydrophobicContact CD1-CG 4.17Å; L675-F736 HydrophobicContact CD2-CB 4.47Å
676	A	94.2	Very high	93.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-36.6	176.6	0	0	0	0	0	112.9	E650 R653 I654 L672 D673 F674 T679	E650-A676 HydrophobicContact CG-CB 4.46Å; R653-A676 HydrophobicContact CB-CB 4Å; R653-A676 VanDerWaalsContact CZ-O 3.25Å; R653-A676 PolarHBondContact NE-O 3.29Å; R653-A676 PolarHBondContact NH2-O 2.95Å; I654-A676 HydrophobicContact CB-CB 4.47Å; I654-A676 HydrophobicContact CD1-CB 4.28Å; I654-A676 HydrophobicContact CG1-CB 3.37Å; L672-A676 WeakPolarHBondContact O-CB 3.38Å; L672-A676 PolarHBondContact O-N 3.28Å; D673-A676 PolarHBondContact O-N 2.84Å; F674-A676 VanDerWaalsContact C-N 3.28Å; F674-A676 PolarHBondContact O-N 3.45Å; A676-T679 WeakPolarHBondContact CA-OG1 3.46Å; A676-T679 PolarHBondContact O-OG1 3.04Å
677	K	94.7	Very high	93.2	Very high	116 Å²	116	51.1 Å²	51.1	50%	0.504	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-37.2	175.2	-73.9	171.8	-177.4	168.8	0	112.7	E650 D673 F674 L675 T679	E650-K677 WeakPolarHBondContact OE1-CE 3.47Å; E650-K677 WeakPolarHBondContact OE1-CG 3.47Å; D673-K677 PolarHBondContact O-N 2.95Å; F674-K677 PolarHBondContact O-N 3.3Å; F674-K677 VanDerWaalsContact O-N 3.14Å; L675-K677 VanDerWaalsContact C-N 3.34Å; L675-K677 PolarHBondContact O-N 3.11Å; K677-T679 VanDerWaalsContact C-N 3.35Å
678	M	92.7	Very high	93.2	Very high	100 Å²	100	52 Å²	52	49%	0.493	27%	0.268	S	S	.	.	H	α-helix	trans	-78.3	-19.1	-177.6	-64.2	-61.2	98.6	0	0	113.6	F674 L675 N680 M740	F674-M678 HydrophobicContact CD1-CG 4.38Å; F674-M678 HydrophobicContact CE1-CG 3.88Å; F674-M678 HydrophobicContact CE2-CE 4.34Å; F674-M678 HydrophobicContact CE2-CG 4.14Å; F674-M678 HydrophobicContact CE2-SD 4.3Å; F674-M678 HydrophobicContact CZ-CG 3.75Å; F674-M678 HydrophobicContact CZ-SD 4.05Å; F674-M678 WeakPolarHBondContact O-CG 3.47Å; F674-M678 PolarHBondContact O-N 3.2Å; L675-M678 PolarHBondContact O-N 3.49Å; M678-N680 PolarHBondContact O-N 3.04Å; M678-M740 HydrophobicContact CB-CE 3.46Å; M678-M740 VanDerWaalsContact CB-CE 3.46Å
679	T	93.9	Very high	93.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	33	-174.6	49.3	0	0	0	0	113.3	R653 L675 A676 K677 G681 F682 L687 I690 M740	R653-T679 WeakPolarHBondContact CD-O 3.16Å; R653-T679 WeakPolarHBondContact CD-OG1 3.45Å; R653-T679 PolarHBondContact NE-O 2.95Å; R653-T679 PolarHBondContact NE-OG1 3.36Å; L675-T679 WeakPolarHBondContact O-CB 3.29Å; L675-T679 VanDerWaalsContact O-CG2 3.3Å; L675-T679 WeakPolarHBondContact O-CG2 3.32Å; L675-T679 PolarHBondContact O-N 3.32Å; L675-T679 VanDerWaalsContact O-N 3.16Å; L675-T679 PolarHBondContact O-OG1 3.48Å; A676-T679 WeakPolarHBondContact CA-OG1 3.46Å; A676-T679 PolarHBondContact O-OG1 3.04Å; K677-T679 VanDerWaalsContact C-N 3.35Å; T679-G681 PolarHBondContact O-N 2.95Å; T679-F682 VanDerWaalsContact C-CD2 3.45Å; T679-F682 HydrophobicContact CG2-CD1 4.39Å; T679-F682 HydrophobicContact CG2-CD2 4.48Å; T679-F682 HydrophobicContact CG2-CG 4.32Å; T679-F682 VanDerWaalsContact O-CB 3.29Å; T679-F682 WeakPolarHBondContact O-CB 3.33Å; T679-F682 VanDerWaalsContact O-CD2 3.3Å; T679-F682 WeakPolarHBondContact O-CD2 3.17Å; T679-F682 PolarHBondContact O-N 3.1Å; T679-L687 HydrophobicContact CG2-CD2 3.7Å; T679-I690 HydrophobicContact CG2-CD1 3.78Å; T679-M740 HydrophobicContact CG2-CE 3.52Å; T679-M740 HydrophobicContact CG2-SD 4.21Å
680	N	93.3	Very high	93.6	Very high	115 Å²	115	42.7 Å²	42.7	62%	0.615	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	133.2	176.5	-171	41.7	0	0	0	111.9	M678 F682	M678-N680 PolarHBondContact O-N 3.04Å; N680-F682 VanDerWaalsContact C-N 3.32Å
681	G	90.6	Very high	93.7	Very high	8 Å²	8	42 Å²	42	8%	0.082	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	16.2	-177.4	0	0	0	0	0	114.8	T679 R745	T679-G681 PolarHBondContact O-N 2.95Å; G681-R745 PolarHBondContact O-NE 3.31Å; G681-R745 VanDerWaalsContact O-NE 3.08Å
682	F	94.1	Very high	93.7	Very high	18 Å²	18	42.6 Å²	42.6	8%	0.079	22%	0.222	C	C	.	.			trans	-89.9	141.9	169.4	-77.4	-116.7	0	0	0	110	P648 T679 N680 D686 L687 I690 A743 R745	P648-F682 WeakPolarHBondContact CD-O 3.47Å; P648-F682 VanDerWaalsContact CG-O 3.32Å; P648-F682 WeakPolarHBondContact CG-O 3.13Å; T679-F682 VanDerWaalsContact C-CD2 3.45Å; T679-F682 HydrophobicContact CG2-CD1 4.39Å; T679-F682 HydrophobicContact CG2-CD2 4.48Å; T679-F682 HydrophobicContact CG2-CG 4.32Å; T679-F682 VanDerWaalsContact O-CB 3.29Å; T679-F682 WeakPolarHBondContact O-CB 3.33Å; T679-F682 VanDerWaalsContact O-CD2 3.3Å; T679-F682 WeakPolarHBondContact O-CD2 3.17Å; T679-F682 PolarHBondContact O-N 3.1Å; N680-F682 VanDerWaalsContact C-N 3.32Å; F682-D686 HydrophobicContact CB-CB 3.99Å; F682-D686 HydrophobicContact CD1-CB 3.47Å; F682-D686 VanDerWaalsContact CD1-CB 3.47Å; F682-D686 HydrophobicContact CE1-CB 4.31Å; F682-D686 HydrophobicContact CG-CB 4.15Å; F682-L687 HydrophobicContact CB-CD2 4.23Å; F682-L687 HydrophobicContact CB-CG 4.46Å; F682-I690 HydrophobicContact CD1-CD1 3.9Å; F682-I690 HydrophobicContact CE1-CD1 3.83Å; F682-A743 HydrophobicContact CE1-CB 3.89Å; F682-A743 HydrophobicContact CZ-CB 4.14Å; F682-R745 HydrophobicContact CD2-CG 3.64Å; F682-R745 HydrophobicContact CE1-CG 4.4Å; F682-R745 HydrophobicContact CE2-CG 3.33Å; F682-R745 HydrophobicContact CG-CG 4.32Å; F682-R745 HydrophobicContact CZ-CG 3.74Å
683	S	94.9	Very high	93.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.			trans	-79.1	169	170.3	71.6	0	0	0	0	111.4	A685 D686 L687 S746	S683-A685 PolarHBondContact O-N 3.08Å; S683-A685 PolarHBondContact OG-N 2.87Å; S683-D686 PolarHBondContact N-OD2 3.48Å; S683-D686 PolarHBondContact O-N 2.75Å; S683-D686 VanDerWaalsContact O-N 3.15Å; S683-D686 PolarHBondContact OG-N 2.91Å; S683-D686 PolarHBondContact OG-OD1 3.01Å; S683-D686 PolarHBondContact OG-OD2 2.76Å; S683-L687 WeakPolarHBondContact O-CG 3.43Å; S683-L687 PolarHBondContact O-N 2.92Å; S683-L687 VanDerWaalsContact O-N 3.09Å; S683-S746 PolarHBondContact OG-OG 2.88Å
684	G	93.1	Very high	93.6	Very high	11 Å²	11	41.8 Å²	41.8	11%	0.113	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-39.4	172.5	0	0	0	0	0	112.2	G521 D686 L687 T688	G521-G684 CarbonylContact O-C 3.53Å; G521-G684 WeakPolarHBondContact O-CA 3.36Å; G521-G684 PolarHBondContact O-N 3.31Å; G684-D686 PolarHBondContact O-N 3.18Å; G684-L687 PolarHBondContact O-N 2.79Å; G684-T688 PolarHBondContact O-N 2.81Å; G684-T688 PolarHBondContact O-OG1 2.99Å
685	A	93.2	Very high	93.6	Very high	49 Å²	49	38.1 Å²	38.1	41%	0.405	20%	0.198	S	C	.	.	H	α-helix	trans	-63.7	-38.6	175	0	0	0	0	0	112.6	G521 S683 L687 T688 E689	G521-A685 PolarHBondContact O-N 2.74Å; S683-A685 PolarHBondContact O-N 3.08Å; S683-A685 PolarHBondContact OG-N 2.87Å; A685-L687 VanDerWaalsContact C-N 3.33Å; A685-L687 PolarHBondContact O-N 2.82Å; A685-T688 PolarHBondContact O-N 3.22Å; A685-E689 PolarHBondContact O-N 3.4Å
686	D	94.9	Very high	93.6	Very high	18 Å²	18	43.2 Å²	43.2	10%	0.096	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-38	176.6	-54.4	-29.5	0	0	0	111.1	F682 S683 G684 E689 I690 S746	F682-D686 HydrophobicContact CB-CB 3.99Å; F682-D686 HydrophobicContact CD1-CB 3.47Å; F682-D686 VanDerWaalsContact CD1-CB 3.47Å; F682-D686 HydrophobicContact CE1-CB 4.31Å; F682-D686 HydrophobicContact CG-CB 4.15Å; S683-D686 PolarHBondContact N-OD2 3.48Å; S683-D686 PolarHBondContact O-N 2.75Å; S683-D686 VanDerWaalsContact O-N 3.15Å; S683-D686 PolarHBondContact OG-N 2.91Å; S683-D686 PolarHBondContact OG-OD1 3.01Å; S683-D686 PolarHBondContact OG-OD2 2.76Å; G684-D686 PolarHBondContact O-N 3.18Å; D686-E689 PolarHBondContact O-N 3.07Å; D686-I690 WeakPolarHBondContact O-CG1 3.24Å; D686-I690 PolarHBondContact O-N 3.32Å; D686-I690 VanDerWaalsContact O-N 3.1Å; D686-S746 WeakPolarHBondContact OD1-CB 3.48Å; D686-S746 PolarHBondContact OD1-OG 3.45Å; D686-S746 PolarHBondContact OD2-N 2.88Å; D686-S746 PolarHBondContact OD2-OG 2.67Å
687	L	94.8	Very high	93.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-40.6	174.2	-64.4	177.6	0	0	0	111.8	R653 I656 L657 T679 F682 S683 G684 A685 E689 I690 C691	R653-L687 HydrophobicContact CB-CD1 3.9Å; R653-L687 HydrophobicContact CG-CD1 3.84Å; I656-L687 HydrophobicContact CB-CD1 3.99Å; I656-L687 HydrophobicContact CD1-CD1 4.19Å; I656-L687 HydrophobicContact CG2-CB 4.09Å; I656-L687 HydrophobicContact CG2-CD1 3.77Å; L657-L687 HydrophobicContact CD2-CB 4.26Å; L657-L687 HydrophobicContact CD2-CD2 4.36Å; T679-L687 HydrophobicContact CG2-CD2 3.7Å; F682-L687 HydrophobicContact CB-CD2 4.23Å; F682-L687 HydrophobicContact CB-CG 4.46Å; S683-L687 WeakPolarHBondContact O-CG 3.43Å; S683-L687 PolarHBondContact O-N 2.92Å; S683-L687 VanDerWaalsContact O-N 3.09Å; G684-L687 PolarHBondContact O-N 2.79Å; A685-L687 VanDerWaalsContact C-N 3.33Å; A685-L687 PolarHBondContact O-N 2.82Å; L687-E689 VanDerWaalsContact C-N 3.33Å; L687-I690 PolarHBondContact O-N 2.86Å; L687-C691 PolarHBondContact O-N 2.91Å; L687-C691 VanDerWaalsContact O-N 3.1Å; L687-C691 PolarHBondContact O-SG 3.46Å
688	T	93.2	Very high	93.3	Very high	40 Å²	40	40.1 Å²	40.1	25%	0.245	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-41.9	174.2	-55	0	0	0	0	111.2	N660 G684 A685 I690 C691 Q692	N660-T688 PolarHBondContact ND2-OG1 3.24Å; G684-T688 PolarHBondContact O-N 2.81Å; G684-T688 PolarHBondContact O-OG1 2.99Å; A685-T688 PolarHBondContact O-N 3.22Å; T688-I690 VanDerWaalsContact C-N 3.34Å; T688-I690 PolarHBondContact O-N 2.54Å; T688-C691 WeakPolarHBondContact O-CB 3.35Å; T688-C691 PolarHBondContact O-N 2.93Å; T688-Q692 HydrophobicContact CG2-CG 4.34Å; T688-Q692 WeakPolarHBondContact O-CG 3.48Å; T688-Q692 PolarHBondContact O-N 2.98Å
689	E	94	Very high	93.2	Very high	88 Å²	88	40.1 Å²	40.1	41%	0.411	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-40.7	176.6	177.1	60.1	-161.2	0	0	111.8	A685 D686 L687 C691 Q692 R693	A685-E689 PolarHBondContact O-N 3.4Å; D686-E689 PolarHBondContact O-N 3.07Å; L687-E689 VanDerWaalsContact C-N 3.33Å; E689-C691 PolarHBondContact O-N 3.19Å; E689-Q692 PolarHBondContact O-N 3.33Å; E689-R693 WeakPolarHBondContact O-CB 3.47Å; E689-R693 PolarHBondContact O-N 3Å
690	I	94.8	Very high	93	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-46.7	174.4	-65.9	165.3	0	0	0	110.5	T679 F682 D686 L687 T688 R693 A694 F736 A739 M740 A743	T679-I690 HydrophobicContact CG2-CD1 3.78Å; F682-I690 HydrophobicContact CD1-CD1 3.9Å; F682-I690 HydrophobicContact CE1-CD1 3.83Å; D686-I690 WeakPolarHBondContact O-CG1 3.24Å; D686-I690 PolarHBondContact O-N 3.32Å; D686-I690 VanDerWaalsContact O-N 3.1Å; L687-I690 PolarHBondContact O-N 2.86Å; T688-I690 VanDerWaalsContact C-N 3.34Å; T688-I690 PolarHBondContact O-N 2.54Å; I690-R693 PolarHBondContact O-N 3.24Å; I690-A694 PolarHBondContact O-N 3.12Å; I690-F736 HydrophobicContact CG2-CD1 4.3Å; I690-A739 HydrophobicContact CG2-CB 4.43Å; I690-M740 HydrophobicContact CD1-SD 3.98Å; I690-A743 HydrophobicContact CD1-CB 4.03Å; I690-A743 HydrophobicContact CG1-CB 3.92Å
691	C	94.1	Very high	92.9	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.034	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-49.4	178.2	-62.4	0	0	0	0	111.4	L661 L687 T688 E689 R693 A694 C695	L661-C691 HydrophobicContact CD2-CB 3.89Å; L661-C691 HydrophobicContact CG-CB 4.44Å; L687-C691 PolarHBondContact O-N 2.91Å; L687-C691 VanDerWaalsContact O-N 3.1Å; L687-C691 PolarHBondContact O-SG 3.46Å; T688-C691 WeakPolarHBondContact O-CB 3.35Å; T688-C691 PolarHBondContact O-N 2.93Å; E689-C691 PolarHBondContact O-N 3.19Å; C691-R693 VanDerWaalsContact C-N 3.28Å; C691-R693 PolarHBondContact O-N 3.18Å; C691-A694 PolarHBondContact O-N 3.33Å; C691-C695 PolarHBondContact O-N 3.43Å; C691-C695 PolarHBondContact O-SG 2.87Å
692	Q	92.7	Very high	92.8	Very high	97 Å²	97	46.2 Å²	46.2	45%	0.453	23%	0.229	S	C	.	.	H	α-helix	trans	-61.3	-37.6	178.4	-73	-174.8	2.5	0	0	112.2	T688 E689 C695 K696	T688-Q692 HydrophobicContact CG2-CG 4.34Å; T688-Q692 WeakPolarHBondContact O-CG 3.48Å; T688-Q692 PolarHBondContact O-N 2.98Å; E689-Q692 PolarHBondContact O-N 3.33Å; Q692-C695 PolarHBondContact O-N 2.82Å; Q692-K696 VanDerWaalsContact O-CG 3.29Å; Q692-K696 WeakPolarHBondContact O-CG 3.43Å; Q692-K696 PolarHBondContact O-N 3.44Å
693	R	93.1	Very high	92.5	Very high	81 Å²	81	49.3 Å²	49.3	31%	0.306	25%	0.245	S	C	.	.	H	α-helix	trans	-68.2	-41.7	177.7	-169.7	174.2	-169.2	117	1	111.8	E689 I690 C691 C695 K696 L697 A739 F742	E689-R693 WeakPolarHBondContact O-CB 3.47Å; E689-R693 PolarHBondContact O-N 3Å; I690-R693 PolarHBondContact O-N 3.24Å; C691-R693 VanDerWaalsContact C-N 3.28Å; C691-R693 PolarHBondContact O-N 3.18Å; R693-C695 VanDerWaalsContact C-N 3.35Å; R693-K696 PolarHBondContact O-N 3.34Å; R693-L697 WeakPolarHBondContact O-CG 3.49Å; R693-L697 PolarHBondContact O-N 3.17Å; R693-A739 HydrophobicContact CB-CB 4.01Å; R693-A739 HydrophobicContact CG-CB 3.98Å; R693-F742 VanDerWaalsContact NH2-CB 3.26Å
694	A	93.7	Very high	92.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-44.7	172.5	0	0	0	0	0	111.1	I690 C691 K696 L697 A698 I731 H735 F736 A739	I690-A694 PolarHBondContact O-N 3.12Å; C691-A694 PolarHBondContact O-N 3.33Å; A694-K696 PolarHBondContact O-N 3.45Å; A694-L697 PolarHBondContact O-N 3.21Å; A694-A698 PolarHBondContact O-N 3.14Å; A694-I731 HydrophobicContact CB-CG2 4.19Å; A694-H735 HydrophobicContact CB-CB 4.22Å; A694-F736 HydrophobicContact CB-CD1 3.72Å; A694-F736 HydrophobicContact CB-CD2 4.17Å; A694-F736 HydrophobicContact CB-CE1 3.74Å; A694-F736 HydrophobicContact CB-CE2 4.19Å; A694-F736 HydrophobicContact CB-CG 3.95Å; A694-F736 HydrophobicContact CB-CZ 3.98Å; A694-A739 HydrophobicContact CB-CB 4.2Å
695	C	92.8	Very high	91.9	Very high	29 Å²	29	57.3 Å²	57.3	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-45.3	173.6	-62.1	0	0	0	0	112.2	C691 Q692 R693 L697 A698 I699 I731	C691-C695 PolarHBondContact O-N 3.43Å; C691-C695 PolarHBondContact O-SG 2.87Å; Q692-C695 PolarHBondContact O-N 2.82Å; R693-C695 VanDerWaalsContact C-N 3.35Å; C695-L697 VanDerWaalsContact C-N 3.26Å; C695-L697 PolarHBondContact O-N 3.12Å; C695-A698 PolarHBondContact O-N 3.07Å; C695-I699 VanDerWaalsContact O-CG1 3.29Å; C695-I699 WeakPolarHBondContact O-CG1 3.27Å; C695-I699 PolarHBondContact O-N 2.76Å; C695-I731 HydrophobicContact CB-CD1 4.25Å; C695-I731 WeakPolarHBondContact SG-CD1 3.32Å
696	K	92.1	Very high	91.5	Very high	124 Å²	124	60.9 Å²	60.9	54%	0.539	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-34.1	178.7	-75.7	170.2	-173.3	168.5	0	112.5	Q692 R693 A694 R700	Q692-K696 VanDerWaalsContact O-CG 3.29Å; Q692-K696 WeakPolarHBondContact O-CG 3.43Å; Q692-K696 PolarHBondContact O-N 3.44Å; R693-K696 PolarHBondContact O-N 3.34Å; A694-K696 PolarHBondContact O-N 3.45Å; K696-R700 WeakPolarHBondContact O-CB 3.35Å; K696-R700 PolarHBondContact O-N 3.11Å
697	L	92.6	Very high	91.1	Very high	43 Å²	43	63.5 Å²	63.5	23%	0.225	30%	0.303	C	S	.	.	H	α-helix	trans	-69.1	-44.9	174.8	-70.4	171.5	0	0	0	111.2	R693 A694 C695 R700 E701 H735 E738 A739	R693-L697 WeakPolarHBondContact O-CG 3.49Å; R693-L697 PolarHBondContact O-N 3.17Å; A694-L697 PolarHBondContact O-N 3.21Å; C695-L697 VanDerWaalsContact C-N 3.26Å; C695-L697 PolarHBondContact O-N 3.12Å; L697-R700 WeakPolarHBondContact O-CB 3.35Å; L697-R700 PolarHBondContact O-N 3.34Å; L697-E701 PolarHBondContact O-N 3.32Å; L697-H735 HydrophobicContact CB-CB 4.36Å; L697-H735 WeakPolarHBondContact CD1-O 3.38Å; L697-E738 HydrophobicContact CD1-CB 3.79Å; L697-E738 HydrophobicContact CD1-CG 3.81Å; L697-A739 HydrophobicContact CD1-CB 4.47Å
698	A	91.6	Very high	90.6	Very high	9 Å²	9	71 Å²	71	7%	0.074	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-44.1	175.6	0	0	0	0	0	112.3	A694 C695 R700 E701 S702 V728 I731	A694-A698 PolarHBondContact O-N 3.14Å; C695-A698 PolarHBondContact O-N 3.07Å; A698-R700 VanDerWaalsContact C-N 3.35Å; A698-R700 PolarHBondContact O-N 2.96Å; A698-E701 PolarHBondContact O-N 3.4Å; A698-S702 PolarHBondContact O-N 2.67Å; A698-V728 HydrophobicContact CB-CG1 4.45Å; A698-I731 HydrophobicContact CB-CG1 3.98Å; A698-I731 HydrophobicContact CB-CG2 4.5Å
699	I	90.1	Very high	90	Very high	100 Å²	100	74.5 Å²	74.5	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-44.7	175.2	-68.1	165.3	0	0	0	110.6	C695 E701 S702 I703	C695-I699 VanDerWaalsContact O-CG1 3.29Å; C695-I699 WeakPolarHBondContact O-CG1 3.27Å; C695-I699 PolarHBondContact O-N 2.76Å; I699-E701 VanDerWaalsContact C-N 3.32Å; I699-E701 PolarHBondContact O-N 3.39Å; I699-S702 PolarHBondContact O-N 3.17Å; I699-I703 HydrophobicContact CG2-CD1 3.68Å; I699-I703 HydrophobicContact CG2-CG1 4.38Å; I699-I703 VanDerWaalsContact O-CG1 3.3Å; I699-I703 WeakPolarHBondContact O-CG1 3.32Å; I699-I703 PolarHBondContact O-N 2.99Å
700	R	90.3	Very high	89.4	Confident	175 Å²	175	75.9 Å²	75.9	66%	0.66	35%	0.346	S	S	*	.	H	α-helix	trans	-59.3	-44.4	176.5	171.6	179.7	-98.2	175.9	-7.8	111.2	K696 L697 A698 E704	K696-R700 WeakPolarHBondContact O-CB 3.35Å; K696-R700 PolarHBondContact O-N 3.11Å; L697-R700 WeakPolarHBondContact O-CB 3.35Å; L697-R700 PolarHBondContact O-N 3.34Å; A698-R700 VanDerWaalsContact C-N 3.35Å; A698-R700 PolarHBondContact O-N 2.96Å; R700-E704 WeakPolarHBondContact O-CB 3.49Å; R700-E704 PolarHBondContact O-N 3.05Å
701	E	90.7	Very high	88.9	Confident	51 Å²	51	83.6 Å²	83.6	24%	0.238	38%	0.375	C	S	.	.	H	α-helix	trans	-63.4	-44.6	178.2	-168.2	-168	141.8	0	0	111.7	L697 A698 I699 E704 N705 V728 R732 H735	L697-E701 PolarHBondContact O-N 3.32Å; A698-E701 PolarHBondContact O-N 3.4Å; I699-E701 VanDerWaalsContact C-N 3.32Å; I699-E701 PolarHBondContact O-N 3.39Å; E701-E704 PolarHBondContact O-N 3.29Å; E701-N705 WeakPolarHBondContact O-CB 3.23Å; E701-N705 PolarHBondContact O-N 3.26Å; E701-N705 PolarHBondContact O-ND2 2.99Å; E701-V728 HydrophobicContact CB-CG2 4.15Å; E701-V728 HydrophobicContact CG-CG2 3.9Å; E701-V728 WeakPolarHBondContact OE1-CG2 3.03Å; E701-R732 IonicContact OE1-CZ 3.41Å; E701-R732 IonicContact OE1-NH2 2.78Å; E701-R732 PolarHBondContact OE1-NH2 2.92Å; E701-R732 IonicContact OE2-NH2 3.17Å; E701-R732 PolarHBondContact OE2-NH2 3.49Å; E701-H735 IonicContact OE2-CE1 2.59Å; E701-H735 IonicContact OE2-NE2 2.7Å; E701-H735 PolarHBondContact OE2-NE2 2.92Å
702	S	89	Confident	88.2	Confident	26 Å²	26	88.1 Å²	88.1	18%	0.182	40%	0.396	C	S	.	.	H	α-helix	trans	-58.2	-50.7	177.3	-174.4	0	0	0	0	111.6	A698 I699 E704 N705 E706	A698-S702 PolarHBondContact O-N 2.67Å; I699-S702 PolarHBondContact O-N 3.17Å; S702-E704 VanDerWaalsContact C-N 3.34Å; S702-E704 PolarHBondContact O-N 2.58Å; S702-N705 PolarHBondContact O-N 3.13Å; S702-E706 WeakPolarHBondContact O-CB 3.49Å; S702-E706 PolarHBondContact O-N 3.43Å
703	I	87.6	Confident	87.5	Confident	84 Å²	84	91.4 Å²	91.4	43%	0.431	40%	0.404	S	S	.	.	H	α-helix	trans	-61.5	-41.2	178	-65.3	168.9	0	0	0	111.4	I699 E706 I707	I699-I703 HydrophobicContact CG2-CD1 3.68Å; I699-I703 HydrophobicContact CG2-CG1 4.38Å; I699-I703 VanDerWaalsContact O-CG1 3.3Å; I699-I703 WeakPolarHBondContact O-CG1 3.32Å; I699-I703 PolarHBondContact O-N 2.99Å; I703-E706 PolarHBondContact O-N 3.44Å; I703-I707 HydrophobicContact CG2-CD1 3.79Å; I703-I707 HydrophobicContact CG2-CG1 4.42Å; I703-I707 WeakPolarHBondContact O-CD1 3.38Å; I703-I707 VanDerWaalsContact O-CG1 3.24Å; I703-I707 WeakPolarHBondContact O-CG1 3.48Å; I703-I707 PolarHBondContact O-N 2.78Å
704	E	89.1	Confident	86.7	Confident	129 Å²	129	94.3 Å²	94.3	60%	0.603	42%	0.421	S	S	*	.	H	α-helix	trans	-65.9	-40	179.4	-173	169	-171.9	0	0	112	R700 E701 S702 R708	R700-E704 WeakPolarHBondContact O-CB 3.49Å; R700-E704 PolarHBondContact O-N 3.05Å; E701-E704 PolarHBondContact O-N 3.29Å; S702-E704 VanDerWaalsContact C-N 3.34Å; S702-E704 PolarHBondContact O-N 2.58Å; E704-R708 WeakPolarHBondContact O-CB 3.33Å; E704-R708 PolarHBondContact O-N 3.32Å
705	N	85.6	Confident	86	Confident	50 Å²	50	99.8 Å²	99.8	27%	0.267	45%	0.454	S	S	.	.	H	α-helix	trans	-66.9	-40.1	175.1	-75	-26.9	0	0	0	112	E701 S702 R708 R709 P727	E701-N705 WeakPolarHBondContact O-CB 3.23Å; E701-N705 PolarHBondContact O-N 3.26Å; E701-N705 PolarHBondContact O-ND2 2.99Å; S702-N705 PolarHBondContact O-N 3.13Å; N705-R708 PolarHBondContact O-N 2.99Å; N705-R709 WeakPolarHBondContact O-CB 3.2Å; N705-R709 PolarHBondContact O-N 2.86Å; N705-P727 HydrophobicContact CB-CB 3.8Å; N705-P727 HydrophobicContact CB-CG 4.07Å
706	E	84.9	Confident	85.1	Confident	124 Å²	124	103 Å²	103	58%	0.579	47%	0.47	S	S	*	.	H	α-helix	trans	-62.6	-48.9	176.3	-167.7	178.5	-168.9	0	0	111.4	S702 I703 R708 R709 E710	S702-E706 WeakPolarHBondContact O-CB 3.49Å; S702-E706 PolarHBondContact O-N 3.43Å; I703-E706 PolarHBondContact O-N 3.44Å; E706-R708 VanDerWaalsContact C-N 3.26Å; E706-R708 PolarHBondContact O-N 2.92Å; E706-R709 PolarHBondContact O-N 3.5Å; E706-R709 VanDerWaalsContact O-N 3.17Å; E706-E710 WeakPolarHBondContact O-CB 3.42Å; E706-E710 PolarHBondContact O-N 3.42Å
707	I	86.1	Confident	83.7	Confident	73 Å²	73	102.6 Å²	102.6	37%	0.374	48%	0.48	S	S	.	.	H	α-helix	trans	-58.2	-40	175.2	-67.7	166	0	0	0	111	I703 R711	I703-I707 HydrophobicContact CG2-CD1 3.79Å; I703-I707 HydrophobicContact CG2-CG1 4.42Å; I703-I707 WeakPolarHBondContact O-CD1 3.38Å; I703-I707 VanDerWaalsContact O-CG1 3.24Å; I703-I707 WeakPolarHBondContact O-CG1 3.48Å; I703-I707 PolarHBondContact O-N 2.78Å; I707-R711 VanDerWaalsContact O-CG 3.32Å; I707-R711 WeakPolarHBondContact O-CG 3.35Å; I707-R711 PolarHBondContact O-N 3.21Å
708	R	85.1	Confident	82.1	Confident	157 Å²	157	105.4 Å²	105.4	59%	0.592	50%	0.503	S	S	*	.	H	α-helix	trans	-66.3	-45.6	177.6	-177.3	179.5	173.5	175.7	-0	111.5	E704 N705 E706 E710 R711 E712	E704-R708 WeakPolarHBondContact O-CB 3.33Å; E704-R708 PolarHBondContact O-N 3.32Å; N705-R708 PolarHBondContact O-N 2.99Å; E706-R708 VanDerWaalsContact C-N 3.26Å; E706-R708 PolarHBondContact O-N 2.92Å; R708-E710 VanDerWaalsContact C-N 3.31Å; R708-E710 PolarHBondContact O-N 3.42Å; R708-R711 PolarHBondContact O-N 3.24Å; R708-E712 WeakPolarHBondContact CG-OE1 3.43Å; R708-E712 IonicContact CZ-OE1 3.96Å; R708-E712 IonicContact NE-OE1 3.53Å; R708-E712 PolarHBondContact NE-OE1 2.93Å; R708-E712 IonicContact NH2-OE1 3.65Å; R708-E712 WeakPolarHBondContact O-CG 3.46Å; R708-E712 PolarHBondContact O-N 3.01Å
709	R	80.6	Confident	80.5	Confident	113 Å²	113	108.5 Å²	108.5	43%	0.426	53%	0.529	S	S	.	.	H	α-helix	trans	-61.8	-39.9	177.3	-165.4	176.4	-179.3	173.8	-1.3	110.9	N705 E706 E712 R713 V722 E723 D725	N705-R709 WeakPolarHBondContact O-CB 3.2Å; N705-R709 PolarHBondContact O-N 2.86Å; E706-R709 PolarHBondContact O-N 3.5Å; E706-R709 VanDerWaalsContact O-N 3.17Å; R709-E712 PolarHBondContact O-N 3.4Å; R709-R713 WeakPolarHBondContact O-CB 3.18Å; R709-R713 PolarHBondContact O-N 2.87Å; R709-V722 PolarHBondContact NH2-O 3.27Å; R709-E723 PolarHBondContact NH2-O 3.1Å; R709-D725 PolarHBondContact NH1-O 3.18Å
710	E	81.7	Confident	78.7	Confident	117 Å²	117	111.9 Å²	111.9	55%	0.547	54%	0.544	S	S	.	.	H	α-helix	trans	-65.4	-41.5	176.5	-163	177	-168.2	0	0	112.2	E706 R708 R713 Q714	E706-E710 WeakPolarHBondContact O-CB 3.42Å; E706-E710 PolarHBondContact O-N 3.42Å; R708-E710 VanDerWaalsContact C-N 3.31Å; R708-E710 PolarHBondContact O-N 3.42Å; E710-R713 PolarHBondContact O-N 3.38Å; E710-Q714 WeakPolarHBondContact O-CG 3.44Å; E710-Q714 PolarHBondContact O-N 2.77Å
711	R	83.6	Confident	76.9	Confident	169 Å²	169	111.9 Å²	111.9	64%	0.638	55%	0.552	S	S	*	*	H	α-helix	trans	-63.9	-40.2	173.2	-74.1	174.9	-178.2	176.8	3.8	112.8	I707 R708 R713 Q714 T715	I707-R711 VanDerWaalsContact O-CG 3.32Å; I707-R711 WeakPolarHBondContact O-CG 3.35Å; I707-R711 PolarHBondContact O-N 3.21Å; R708-R711 PolarHBondContact O-N 3.24Å; R711-R713 VanDerWaalsContact C-N 3.34Å; R711-Q714 PolarHBondContact O-N 3.24Å; R711-T715 PolarHBondContact O-N 3.22Å; R711-T715 VanDerWaalsContact O-N 3.13Å; R711-T715 PolarHBondContact O-OG1 3.48Å
712	E	80.3	Confident	75.3	Confident	100 Å²	100	114.5 Å²	114.5	47%	0.467	57%	0.571	S	S	.	*	H	α-helix	trans	-65.4	-38.7	175.6	-72.3	174	-171.1	0	0	110.8	R708 R709 T715 N716	R708-E712 WeakPolarHBondContact CG-OE1 3.43Å; R708-E712 IonicContact CZ-OE1 3.96Å; R708-E712 IonicContact NE-OE1 3.53Å; R708-E712 PolarHBondContact NE-OE1 2.93Å; R708-E712 IonicContact NH2-OE1 3.65Å; R708-E712 WeakPolarHBondContact O-CG 3.46Å; R708-E712 PolarHBondContact O-N 3.01Å; R709-E712 PolarHBondContact O-N 3.4Å; E712-T715 WeakPolarHBondContact CA-OG1 3.42Å; E712-T715 PolarHBondContact O-N 2.9Å; E712-T715 PolarHBondContact O-OG1 2.93Å; E712-T715 VanDerWaalsContact O-OG1 3.13Å; E712-N716 PolarHBondContact O-N 2.96Å
713	R	76.5	Confident	73.6	Confident	165 Å²	165	120.5 Å²	120.5	62%	0.623	60%	0.596	S	S	*	*	H	α-helix	trans	-65	-38.7	174.2	-160.2	176	-171.3	176.7	3.7	112.6	R709 E710 R711 T715 E721	R709-R713 WeakPolarHBondContact O-CB 3.18Å; R709-R713 PolarHBondContact O-N 2.87Å; E710-R713 PolarHBondContact O-N 3.38Å; R711-R713 VanDerWaalsContact C-N 3.34Å; R713-T715 VanDerWaalsContact C-N 3.33Å; R713-T715 PolarHBondContact O-N 3.14Å; R713-E721 IonicContact NH2-OE1 2.64Å
714	Q	76.8	Confident	72.1	Confident	143 Å²	143	125.8 Å²	125.8	67%	0.668	62%	0.619	S	S	*	*	H	α-helix	trans	-67.7	-31.1	175.1	-72.7	175.5	13.9	0	0	113	E710 R711	E710-Q714 WeakPolarHBondContact O-CG 3.44Å; E710-Q714 PolarHBondContact O-N 2.77Å; R711-Q714 PolarHBondContact O-N 3.24Å
715	T	79.6	Confident	70.8	Confident	114 Å²	114	125 Å²	125	70%	0.699	62%	0.619	S	S	*	*	H	α-helix	trans	-89.1	-19.7	-177.9	40.4	0	0	0	0	113.8	R711 E712 R713	R711-T715 PolarHBondContact O-N 3.22Å; R711-T715 VanDerWaalsContact O-N 3.13Å; R711-T715 PolarHBondContact O-OG1 3.48Å; E712-T715 WeakPolarHBondContact CA-OG1 3.42Å; E712-T715 PolarHBondContact O-N 2.9Å; E712-T715 PolarHBondContact O-OG1 2.93Å; E712-T715 VanDerWaalsContact O-OG1 3.13Å; R713-T715 VanDerWaalsContact C-N 3.33Å; R713-T715 PolarHBondContact O-N 3.14Å
716	N	73.3	Confident	69.9	Low	96 Å²	96	126.9 Å²	126.9	51%	0.513	63%	0.629	S	S	.	*			trans	-144.4	84.4	179.3	-144	2.3	0	0	0	112.6	E712 S718 A719	E712-N716 PolarHBondContact O-N 2.96Å; N716-S718 PolarHBondContact O-N 3.22Å; N716-A719 PolarHBondContact O-N 3.48Å
717	P	61.8	Low	69.1	Low	117 Å²	117	123.6 Å²	123.6	76%	0.76	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-11.8	-172.7	-20.1	31.2	0	0	0	115.5
718	S	60.3	Low	68.5	Low	101 Å²	101	120.7 Å²	120.7	71%	0.706	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	1.5	-175.9	54	0	0	0	0	114.4	N716 M720	N716-S718 PolarHBondContact O-N 3.22Å; S718-M720 PolarHBondContact O-N 2.87Å
719	A	58.1	Low	68.2	Low	74 Å²	74	116.9 Å²	116.9	61%	0.612	60%	0.6	S	S	*	*	S	Bend	trans	-74.7	121.6	171.6	0	0	0	0	0	109.1	N716	N716-A719 PolarHBondContact O-N 3.48Å
720	M	51.2	Low	68.6	Low	172 Å²	172	115.3 Å²	115.3	85%	0.847	60%	0.597	S	S	*	*			trans	-44.7	141.8	-176.2	-75.1	173.9	166.7	0	0	113.4	S718 V722	S718-M720 PolarHBondContact O-N 2.87Å; M720-V722 PolarHBondContact O-N 3.44Å
721	E	54.1	Low	69	Low	174 Å²	174	110.2 Å²	110.2	81%	0.813	57%	0.574	S	S	*	*			trans	-61.8	85.9	163.2	-68.8	179.3	156.2	0	0	109	R713	R713-E721 IonicContact NH2-OE1 2.64Å
722	V	55.3	Low	69.5	Low	107 Å²	107	105.5 Å²	105.5	65%	0.648	56%	0.556	S	S	*	*			trans	-78	136.6	163.8	-170.3	0	0	0	0	106.9	R709 M720	R709-V722 PolarHBondContact NH2-O 3.27Å; M720-V722 PolarHBondContact O-N 3.44Å
723	E	53.3	Low	70.1	Confident	152 Å²	152	105.3 Å²	105.3	71%	0.71	55%	0.553	S	S	*	*			trans	-34.8	143.8	-174.6	-71.9	171.2	150.7	0	0	114	R709 D725	R709-E723 PolarHBondContact NH2-O 3.1Å; E723-D725 PolarHBondContact O-N 3.26Å
724	E	56.7	Low	70.9	Confident	195 Å²	195	101.1 Å²	101.1	91%	0.911	54%	0.543	S	S	*	.			trans	-66.7	56.1	174.5	-74	-176.6	151.2	0	0	111.5	D726	E724-D726 PolarHBondContact O-N 3.02Å
725	D	61.7	Low	71.7	Confident	111 Å²	111	94.7 Å²	94.7	59%	0.594	51%	0.514	S	S	*	.			trans	-73	128	170.5	-75.2	-32.1	0	0	0	109.2	R709 E723	R709-D725 PolarHBondContact NH1-O 3.18Å; E723-D725 PolarHBondContact O-N 3.26Å
726	D	67.9	Low	72.4	Confident	90 Å²	90	89.5 Å²	89.5	48%	0.481	48%	0.481	S	S	.	.			trans	-55.5	120	171.1	-178.4	-13.5	0	0	0	108.8	E724 V728 P729	E724-D726 PolarHBondContact O-N 3.02Å; D726-V728 PolarHBondContact O-N 3.15Å; D726-V728 PolarHBondContact OD1-N 3.43Å; D726-P729 HydrophobicContact CB-CB 4.4Å; D726-P729 WeakPolarHBondContact O-CD 3.36Å
727	P	66.3	Low	73.4	Confident	56 Å²	56	89.8 Å²	89.8	36%	0.364	48%	0.48	S	S	.	.	S	Bend	trans	-64.1	-23.4	-176.1	25.2	-34.2	0	0	0	113.3	N705	N705-P727 HydrophobicContact CB-CB 3.8Å; N705-P727 HydrophobicContact CB-CG 4.07Å
728	V	74.9	Confident	74.8	Confident	12 Å²	12	87.3 Å²	87.3	7%	0.073	46%	0.458	C	S	.	.			trans	-138.9	78.2	177.7	-169.7	0	0	0	0	109.4	A698 E701 D726 E730	A698-V728 HydrophobicContact CB-CG1 4.45Å; E701-V728 HydrophobicContact CB-CG2 4.15Å; E701-V728 HydrophobicContact CG-CG2 3.9Å; E701-V728 WeakPolarHBondContact OE1-CG2 3.03Å; D726-V728 PolarHBondContact O-N 3.15Å; D726-V728 PolarHBondContact OD1-N 3.43Å; V728-E730 VanDerWaalsContact C-N 3.26Å; V728-E730 PolarHBondContact O-N 3.47Å
729	P	77.5	Confident	76.4	Confident	76 Å²	76	82.5 Å²	82.5	49%	0.494	42%	0.424	S	S	.	.			trans	-74.3	-17.8	-173.6	30	-34.4	0	0	0	113	P665 D726	P665-P729 WeakPolarHBondContact CB-O 3.29Å; D726-P729 HydrophobicContact CB-CB 4.4Å; D726-P729 WeakPolarHBondContact O-CD 3.36Å
730	E	88.9	Confident	78	Confident	81 Å²	81	81.2 Å²	81.2	38%	0.379	41%	0.406	S	S	.	.	S	Bend	trans	-140.3	146	-173.3	-59.9	179.7	169	0	0	112	S667 V728 R732	S667-E730 VanDerWaalsContact CA-OE2 3.23Å; S667-E730 WeakPolarHBondContact CA-OE2 3.32Å; S667-E730 WeakPolarHBondContact CB-OE2 3.44Å; S667-E730 PolarHBondContact OG-OE2 2.82Å; V728-E730 VanDerWaalsContact C-N 3.26Å; V728-E730 PolarHBondContact O-N 3.47Å; E730-R732 PolarHBondContact O-N 2.65Å
731	I	91.6	Very high	79.9	Confident	9 Å²	9	81.9 Å²	81.9	5%	0.046	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-77.2	109	171.1	-53.8	160.8	0	0	0	108.4	P665 S667 A694 C695 A698 H735 F736	P665-I731 WeakPolarHBondContact O-CG1 2.91Å; P665-I731 PolarHBondContact O-N 3.38Å; S667-I731 PolarHBondContact N-O 3.03Å; A694-I731 HydrophobicContact CB-CG2 4.19Å; C695-I731 HydrophobicContact CB-CD1 4.25Å; C695-I731 WeakPolarHBondContact SG-CD1 3.32Å; A698-I731 HydrophobicContact CB-CG1 3.98Å; A698-I731 HydrophobicContact CB-CG2 4.5Å; I731-H735 HydrophobicContact CG2-CB 4.1Å; I731-F736 HydrophobicContact CG2-CD2 4.17Å; I731-F736 HydrophobicContact CG2-CE2 3.64Å; I731-F736 HydrophobicContact CG2-CZ 4.32Å
732	R	93.4	Very high	81.6	Confident	71 Å²	71	78.7 Å²	78.7	27%	0.268	38%	0.383	S	S	.	.			trans	-84.7	169.3	179.2	-66.9	-177.5	-63.1	-111.1	2.4	114.5	E701 E730 D734 H735	E701-R732 IonicContact OE1-CZ 3.41Å; E701-R732 IonicContact OE1-NH2 2.78Å; E701-R732 PolarHBondContact OE1-NH2 2.92Å; E701-R732 IonicContact OE2-NH2 3.17Å; E701-R732 PolarHBondContact OE2-NH2 3.49Å; E730-R732 PolarHBondContact O-N 2.65Å; R732-D734 WeakPolarHBondContact CB-OD1 3.46Å; R732-D734 IonicContact NE-OD1 2.84Å; R732-D734 PolarHBondContact O-N 3.11Å; R732-H735 PolarHBondContact N-ND1 3.17Å; R732-H735 VanDerWaalsContact N-ND1 3.15Å; R732-H735 WeakPolarHBondContact O-CB 3.38Å; R732-H735 PolarHBondContact O-N 3.23Å
733	K	93.6	Very high	83.1	Confident	95 Å²	95	75 Å²	75	41%	0.413	36%	0.364	S	S	.	.	H	α-helix	trans	-60	-38.7	-179.1	-177.4	-177.4	176.8	-163.7	0	114.5	V670 H735 F736 E737	V670-K733 HydrophobicContact CG2-CB 4.48Å; K733-H735 VanDerWaalsContact C-N 3.3Å; K733-H735 PolarHBondContact O-N 3.39Å; K733-F736 PolarHBondContact O-N 3.32Å; K733-F736 VanDerWaalsContact O-N 3.08Å; K733-E737 WeakPolarHBondContact CE-OE1 3.27Å; K733-E737 HydrophobicContact CG-CG 4.45Å; K733-E737 IonicContact NZ-OE1 3.97Å; K733-E737 PolarHBondContact O-N 2.96Å
734	D	92.8	Very high	84.8	Confident	77 Å²	77	78.1 Å²	78.1	41%	0.412	37%	0.369	S	S	.	.	H	α-helix	trans	-58.2	-38.1	177.6	55.8	-21.5	0	0	0	112.8	R732 F736 E737 E738	R732-D734 WeakPolarHBondContact CB-OD1 3.46Å; R732-D734 IonicContact NE-OD1 2.84Å; R732-D734 PolarHBondContact O-N 3.11Å; D734-F736 VanDerWaalsContact C-N 3.33Å; D734-F736 PolarHBondContact O-N 2.86Å; D734-E737 PolarHBondContact O-N 3.47Å; D734-E738 PolarHBondContact O-N 3.37Å
735	H	93.9	Very high	86.5	Confident	9 Å²	9	73.6 Å²	73.6	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-40.9	173	-56.4	128.5	0	0	0	112.5	A694 L697 E701 I731 R732 K733 A739	A694-H735 HydrophobicContact CB-CB 4.22Å; L697-H735 HydrophobicContact CB-CB 4.36Å; L697-H735 WeakPolarHBondContact CD1-O 3.38Å; E701-H735 IonicContact OE2-CE1 2.59Å; E701-H735 IonicContact OE2-NE2 2.7Å; E701-H735 PolarHBondContact OE2-NE2 2.92Å; I731-H735 HydrophobicContact CG2-CB 4.1Å; R732-H735 PolarHBondContact N-ND1 3.17Å; R732-H735 VanDerWaalsContact N-ND1 3.15Å; R732-H735 WeakPolarHBondContact O-CB 3.38Å; R732-H735 PolarHBondContact O-N 3.23Å; K733-H735 VanDerWaalsContact C-N 3.3Å; K733-H735 PolarHBondContact O-N 3.39Å; H735-A739 VanDerWaalsContact O-CB 3.26Å; H735-A739 WeakPolarHBondContact O-CB 3.22Å; H735-A739 PolarHBondContact O-N 2.99Å
736	F	94.1	Very high	87.8	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-70.5	-38.7	177.3	-78.8	-80.1	0	0	0	111.9	L661 V670 L675 I690 A694 I731 K733 D734 E738 A739 M740	L661-F736 HydrophobicContact CD1-CE1 4.32Å; L661-F736 HydrophobicContact CD1-CZ 3.85Å; L661-F736 HydrophobicContact CD2-CZ 4.06Å; V670-F736 HydrophobicContact CG1-CD2 3.82Å; V670-F736 HydrophobicContact CG1-CE2 3.84Å; V670-F736 HydrophobicContact CG1-CG 4.47Å; V670-F736 HydrophobicContact CG2-CD2 4.02Å; V670-F736 HydrophobicContact CG2-CE2 4.09Å; L675-F736 HydrophobicContact CD1-CB 4.47Å; L675-F736 HydrophobicContact CD1-CD1 3.85Å; L675-F736 HydrophobicContact CD1-CE1 4.28Å; L675-F736 HydrophobicContact CD1-CG 4.17Å; L675-F736 HydrophobicContact CD2-CB 4.47Å; I690-F736 HydrophobicContact CG2-CD1 4.3Å; A694-F736 HydrophobicContact CB-CD1 3.72Å; A694-F736 HydrophobicContact CB-CD2 4.17Å; A694-F736 HydrophobicContact CB-CE1 3.74Å; A694-F736 HydrophobicContact CB-CE2 4.19Å; A694-F736 HydrophobicContact CB-CG 3.95Å; A694-F736 HydrophobicContact CB-CZ 3.98Å; I731-F736 HydrophobicContact CG2-CD2 4.17Å; I731-F736 HydrophobicContact CG2-CE2 3.64Å; I731-F736 HydrophobicContact CG2-CZ 4.32Å; K733-F736 PolarHBondContact O-N 3.32Å; K733-F736 VanDerWaalsContact O-N 3.08Å; D734-F736 VanDerWaalsContact C-N 3.33Å; D734-F736 PolarHBondContact O-N 2.86Å; F736-E738 VanDerWaalsContact C-N 3.35Å; F736-A739 PolarHBondContact O-N 3.08Å; F736-M740 VanDerWaalsContact O-CB 3.29Å; F736-M740 WeakPolarHBondContact O-CB 3.42Å; F736-M740 PolarHBondContact O-N 3.19Å
737	E	92.9	Very high	88.9	Confident	103 Å²	103	67.4 Å²	67.4	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-61.1	-44	175	-71.4	-176.8	175.9	0	0	111.5	K733 D734 M740 R741	K733-E737 WeakPolarHBondContact CE-OE1 3.27Å; K733-E737 HydrophobicContact CG-CG 4.45Å; K733-E737 IonicContact NZ-OE1 3.97Å; K733-E737 PolarHBondContact O-N 2.96Å; D734-E737 PolarHBondContact O-N 3.47Å; E737-M740 PolarHBondContact O-N 2.94Å; E737-R741 PolarHBondContact O-N 3.01Å
738	E	93	Very high	90.1	Very high	64 Å²	64	67.1 Å²	67.1	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-70.1	-39.7	177.1	-173.1	63.3	-164.8	0	0	112	L697 D734 F736 M740 R741 F742	L697-E738 HydrophobicContact CD1-CB 3.79Å; L697-E738 HydrophobicContact CD1-CG 3.81Å; D734-E738 PolarHBondContact O-N 3.37Å; F736-E738 VanDerWaalsContact C-N 3.35Å; E738-M740 VanDerWaalsContact C-N 3.28Å; E738-M740 PolarHBondContact O-N 3.33Å; E738-R741 WeakPolarHBondContact O-CB 3.45Å; E738-R741 PolarHBondContact O-N 3.43Å; E738-R741 WeakPolarHBondContact OE2-CD 3.41Å; E738-R741 IonicContact OE2-CZ 2.67Å; E738-R741 IonicContact OE2-NE 3.91Å; E738-R741 IonicContact OE2-NH1 2.82Å; E738-R741 PolarHBondContact OE2-NH1 2.82Å; E738-F742 WeakPolarHBondContact O-CD2 3.47Å; E738-F742 WeakPolarHBondContact OE1-CE2 3.3Å
739	A	93.4	Very high	90.8	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.5	-40.6	173.7	0	0	0	0	0	111.8	I690 R693 A694 L697 H735 F736 R741 F742 A743	I690-A739 HydrophobicContact CG2-CB 4.43Å; R693-A739 HydrophobicContact CB-CB 4.01Å; R693-A739 HydrophobicContact CG-CB 3.98Å; A694-A739 HydrophobicContact CB-CB 4.2Å; L697-A739 HydrophobicContact CD1-CB 4.47Å; H735-A739 VanDerWaalsContact O-CB 3.26Å; H735-A739 WeakPolarHBondContact O-CB 3.22Å; H735-A739 PolarHBondContact O-N 2.99Å; F736-A739 PolarHBondContact O-N 3.08Å; A739-R741 VanDerWaalsContact C-N 3.29Å; A739-R741 PolarHBondContact O-N 3.39Å; A739-F742 PolarHBondContact O-N 3.39Å; A739-A743 PolarHBondContact O-N 3.09Å
740	M	91.4	Very high	91.4	Very high	47 Å²	47	72.2 Å²	72.2	23%	0.232	34%	0.337	C	S	.	.	H	α-helix	trans	-65.1	-28.9	-178.7	-164.2	61.4	157.6	0	0	113.1	M678 T679 I690 F736 E737 E738 F742 A743	M678-M740 HydrophobicContact CB-CE 3.46Å; M678-M740 VanDerWaalsContact CB-CE 3.46Å; T679-M740 HydrophobicContact CG2-CE 3.52Å; T679-M740 HydrophobicContact CG2-SD 4.21Å; I690-M740 HydrophobicContact CD1-SD 3.98Å; F736-M740 VanDerWaalsContact O-CB 3.29Å; F736-M740 WeakPolarHBondContact O-CB 3.42Å; F736-M740 PolarHBondContact O-N 3.19Å; E737-M740 PolarHBondContact O-N 2.94Å; E738-M740 VanDerWaalsContact C-N 3.28Å; E738-M740 PolarHBondContact O-N 3.33Å; M740-F742 PolarHBondContact O-N 3.45Å; M740-A743 WeakPolarHBondContact O-CB 3.43Å; M740-A743 PolarHBondContact O-N 3.26Å; M740-A743 HydrophobicContact SD-CB 3.94Å
741	R	91.3	Very high	91.3	Very high	187 Å²	187	71 Å²	71	71%	0.706	33%	0.334	S	S	*	.	H	α-helix	trans	-60.8	-28.5	175.7	-70.1	-179.9	179.8	169.1	-2.9	113.4	E737 E738 A739	E737-R741 PolarHBondContact O-N 3.01Å; E738-R741 WeakPolarHBondContact O-CB 3.45Å; E738-R741 PolarHBondContact O-N 3.43Å; E738-R741 WeakPolarHBondContact OE2-CD 3.41Å; E738-R741 IonicContact OE2-CZ 2.67Å; E738-R741 IonicContact OE2-NE 3.91Å; E738-R741 IonicContact OE2-NH1 2.82Å; E738-R741 PolarHBondContact OE2-NH1 2.82Å; A739-R741 VanDerWaalsContact C-N 3.29Å; A739-R741 PolarHBondContact O-N 3.39Å
742	F	89.2	Confident	91.1	Very high	107 Å²	107	72 Å²	72	47%	0.469	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	3	-179	-61.7	-82	0	0	0	113.2	R693 E738 A739 M740	R693-F742 VanDerWaalsContact NH2-CB 3.26Å; E738-F742 WeakPolarHBondContact O-CD2 3.47Å; E738-F742 WeakPolarHBondContact OE1-CE2 3.3Å; A739-F742 PolarHBondContact O-N 3.39Å; M740-F742 PolarHBondContact O-N 3.45Å
743	A	88.1	Confident	90.9	Very high	30 Å²	30	75.6 Å²	75.6	25%	0.248	35%	0.353	C	S	.	.			trans	-64.6	134.7	179.5	0	0	0	0	0	110.3	F682 I690 A739 M740	F682-A743 HydrophobicContact CE1-CB 3.89Å; F682-A743 HydrophobicContact CZ-CB 4.14Å; I690-A743 HydrophobicContact CD1-CB 4.03Å; I690-A743 HydrophobicContact CG1-CB 3.92Å; A739-A743 PolarHBondContact O-N 3.09Å; M740-A743 WeakPolarHBondContact O-CB 3.43Å; M740-A743 PolarHBondContact O-N 3.26Å; M740-A743 HydrophobicContact SD-CB 3.94Å
744	R	88.4	Confident	90.6	Very high	217 Å²	217	77.3 Å²	77.3	82%	0.819	36%	0.36	S	S	*	.			trans	-125	141.1	178.7	-65.4	-176.9	-177.9	-176.4	0.4	109.4
745	R	91.5	Very high	90.4	Very high	100 Å²	100	75.1 Å²	75.1	38%	0.377	35%	0.346	S	S	.	.			trans	-79.6	123.4	171.4	-68	176.2	61.6	-159.1	-4.9	108.8	G681 F682 D749	G681-R745 PolarHBondContact O-NE 3.31Å; G681-R745 VanDerWaalsContact O-NE 3.08Å; F682-R745 HydrophobicContact CD2-CG 3.64Å; F682-R745 HydrophobicContact CE1-CG 4.4Å; F682-R745 HydrophobicContact CE2-CG 3.33Å; F682-R745 HydrophobicContact CG-CG 4.32Å; F682-R745 HydrophobicContact CZ-CG 3.74Å; R745-D749 IonicContact CZ-OD1 2.83Å; R745-D749 IonicContact NH1-OD1 2.63Å; R745-D749 PolarHBondContact NH1-OD1 2.72Å; R745-D749 IonicContact NH1-OD2 2.74Å; R745-D749 IonicContact NH2-OD1 3.53Å; R745-D749 PolarHBondContact NH2-OD1 2.83Å
746	S	90.1	Very high	90	Very high	66 Å²	66	79.5 Å²	79.5	46%	0.462	37%	0.366	S	S	.	.	S	Bend	trans	-77.9	-23.5	176	51.8	0	0	0	0	113.1	S683 D686	S683-S746 PolarHBondContact OG-OG 2.88Å; D686-S746 WeakPolarHBondContact OD1-CB 3.48Å; D686-S746 PolarHBondContact OD1-OG 3.45Å; D686-S746 PolarHBondContact OD2-N 2.88Å; D686-S746 PolarHBondContact OD2-OG 2.67Å
747	V	90.9	Very high	89.6	Confident	5 Å²	5	84.9 Å²	84.9	3%	0.03	39%	0.393	C	S	.	.	S	Bend	trans	-111.7	123.3	-176.4	-170	0	0	0	0	110.7	P519 P520 L647 D751 I752	P519-V747 HydrophobicContact CB-CG1 4.14Å; P519-V747 HydrophobicContact CB-CG2 3.79Å; P520-V747 HydrophobicContact CG-CG2 4.41Å; L647-V747 HydrophobicContact CD1-CB 4.3Å; L647-V747 HydrophobicContact CD1-CG1 4.31Å; L647-V747 HydrophobicContact CD2-CB 4.44Å; L647-V747 HydrophobicContact CD2-CG2 4.1Å; V747-D751 HydrophobicContact CG1-CB 4.37Å; V747-I752 HydrophobicContact CG1-CG1 3.75Å
748	S	91.6	Very high	89	Confident	50 Å²	50	82.4 Å²	82.4	35%	0.35	38%	0.381	S	S	.	.			trans	-80.3	152.3	178.5	83.2	0	0	0	0	112	N750 D751 I752	S748-N750 PolarHBondContact O-N 3.32Å; S748-N750 VanDerWaalsContact O-N 3.17Å; S748-D751 PolarHBondContact O-N 3.24Å; S748-D751 VanDerWaalsContact OG-CG 3.26Å; S748-D751 PolarHBondContact OG-N 2.98Å; S748-D751 PolarHBondContact OG-OD2 2.98Å; S748-I752 WeakPolarHBondContact O-CG1 3.26Å; S748-I752 PolarHBondContact O-N 2.7Å
749	D	89.5	Confident	88.5	Confident	85 Å²	85	79.8 Å²	79.8	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-60.7	-27.8	177.8	-59.4	-36.1	0	0	0	112.6	R745 R753	R745-D749 IonicContact CZ-OD1 2.83Å; R745-D749 IonicContact NH1-OD1 2.63Å; R745-D749 PolarHBondContact NH1-OD1 2.72Å; R745-D749 IonicContact NH1-OD2 2.74Å; R745-D749 IonicContact NH2-OD1 3.53Å; R745-D749 PolarHBondContact NH2-OD1 2.83Å; D749-R753 WeakPolarHBondContact O-CG 3.21Å; D749-R753 PolarHBondContact O-N 2.68Å
750	N	89.4	Confident	87.8	Confident	109 Å²	109	85.3 Å²	85.3	58%	0.583	40%	0.396	S	S	*	.	H	α-helix	trans	-67.8	-39.3	174.5	-73.5	-26.1	0	0	0	111.8	S748 K754	S748-N750 PolarHBondContact O-N 3.32Å; S748-N750 VanDerWaalsContact O-N 3.17Å; N750-K754 WeakPolarHBondContact O-CG 3.34Å; N750-K754 PolarHBondContact O-N 3.36Å
751	D	87.4	Confident	87.3	Confident	57 Å²	57	87.1 Å²	87.1	31%	0.305	41%	0.41	S	S	.	.	H	α-helix	trans	-75.6	-35.6	179.9	-59.6	-44.2	0	0	0	111.4	V747 S748 R753 K754 Y755	V747-D751 HydrophobicContact CG1-CB 4.37Å; S748-D751 PolarHBondContact O-N 3.24Å; S748-D751 VanDerWaalsContact OG-CG 3.26Å; S748-D751 PolarHBondContact OG-N 2.98Å; S748-D751 PolarHBondContact OG-OD2 2.98Å; D751-R753 VanDerWaalsContact C-N 3.31Å; D751-R753 PolarHBondContact O-N 2.99Å; D751-K754 WeakPolarHBondContact O-CB 3.33Å; D751-K754 PolarHBondContact O-N 3.01Å; D751-K754 VanDerWaalsContact O-N 3.09Å; D751-K754 IonicContact OD1-NZ 2.61Å; D751-K754 PolarHBondContact OD1-NZ 3.45Å; D751-Y755 HydrophobicContact CB-CE2 4.35Å; D751-Y755 WeakPolarHBondContact O-CD2 3.28Å; D751-Y755 PolarHBondContact O-N 3.41Å
752	I	88	Confident	86.1	Confident	30 Å²	30	79.5 Å²	79.5	15%	0.154	38%	0.383	C	S	.	.	H	α-helix	trans	-53.8	-50.9	171.2	-62.5	171.9	0	0	0	110.2	L647 V747 S748 K754 Y755 E756	L647-I752 HydrophobicContact CD1-CD1 3.4Å; L647-I752 VanDerWaalsContact CD1-CD1 3.4Å; L647-I752 HydrophobicContact CD1-CG1 3.65Å; V747-I752 HydrophobicContact CG1-CG1 3.75Å; S748-I752 WeakPolarHBondContact O-CG1 3.26Å; S748-I752 PolarHBondContact O-N 2.7Å; I752-K754 VanDerWaalsContact C-N 3.28Å; I752-K754 PolarHBondContact O-N 2.99Å; I752-Y755 PolarHBondContact O-N 3.14Å; I752-Y755 VanDerWaalsContact O-N 3.11Å; I752-E756 HydrophobicContact CG2-CG 4.48Å; I752-E756 PolarHBondContact O-N 3.3Å
753	R	88.1	Confident	84.7	Confident	146 Å²	146	81.1 Å²	81.1	55%	0.551	39%	0.392	S	S	*	.	H	α-helix	trans	-60.8	-36.3	178.1	-70.6	176.4	-172.9	168.9	3.6	112.7	D749 D751 E756 M757	D749-R753 WeakPolarHBondContact O-CG 3.21Å; D749-R753 PolarHBondContact O-N 2.68Å; D751-R753 VanDerWaalsContact C-N 3.31Å; D751-R753 PolarHBondContact O-N 2.99Å; R753-E756 PolarHBondContact O-N 3.3Å; R753-M757 HydrophobicContact CB-CE 4.03Å; R753-M757 WeakPolarHBondContact O-CB 3.48Å; R753-M757 VanDerWaalsContact O-CG 3.27Å; R753-M757 WeakPolarHBondContact O-CG 3.46Å; R753-M757 PolarHBondContact O-N 2.96Å
754	K	87.5	Confident	83.2	Confident	130 Å²	130	86.3 Å²	86.3	57%	0.565	41%	0.411	S	S	*	.	H	α-helix	trans	-63.4	-44.3	174.8	-71.1	173.4	-167.3	157.4	0	111.3	N750 D751 I752 F758	N750-K754 WeakPolarHBondContact O-CG 3.34Å; N750-K754 PolarHBondContact O-N 3.36Å; D751-K754 WeakPolarHBondContact O-CB 3.33Å; D751-K754 PolarHBondContact O-N 3.01Å; D751-K754 VanDerWaalsContact O-N 3.09Å; D751-K754 IonicContact OD1-NZ 2.61Å; D751-K754 PolarHBondContact OD1-NZ 3.45Å; I752-K754 VanDerWaalsContact C-N 3.28Å; I752-K754 PolarHBondContact O-N 2.99Å; K754-F758 WeakPolarHBondContact O-CB 3.49Å; K754-F758 PolarHBondContact O-N 2.77Å
755	Y	87.7	Confident	81.5	Confident	31 Å²	31	80.3 Å²	80.3	12%	0.122	40%	0.402	C	S	.	.	H	α-helix	trans	-64	-42.4	177.2	-70.8	-66.1	0	0	0	112.1	P519 N624 D751 I752 F758 A759	P519-Y755 HydrophobicContact CB-CD2 4.41Å; P519-Y755 HydrophobicContact CB-CE2 4.03Å; P519-Y755 HydrophobicContact CG-CD2 4.28Å; P519-Y755 HydrophobicContact CG-CE2 4.38Å; N624-Y755 VanDerWaalsContact O-CE1 3.27Å; N624-Y755 WeakPolarHBondContact O-CE1 3.35Å; N624-Y755 PolarHBondContact O-OH 3.49Å; D751-Y755 HydrophobicContact CB-CE2 4.35Å; D751-Y755 WeakPolarHBondContact O-CD2 3.28Å; D751-Y755 PolarHBondContact O-N 3.41Å; I752-Y755 PolarHBondContact O-N 3.14Å; I752-Y755 VanDerWaalsContact O-N 3.11Å; Y755-F758 PolarHBondContact O-N 3.38Å; Y755-A759 WeakPolarHBondContact O-CB 3.34Å; Y755-A759 PolarHBondContact O-N 3.37Å
756	E	85.5	Confident	79.6	Confident	101 Å²	101	82.4 Å²	82.4	47%	0.472	41%	0.41	S	S	.	.	H	α-helix	trans	-64	-46	176.9	-71.9	177	174.2	0	0	112.1	I752 R753 F758 A759 Q760	I752-E756 HydrophobicContact CG2-CG 4.48Å; I752-E756 PolarHBondContact O-N 3.3Å; R753-E756 PolarHBondContact O-N 3.3Å; E756-F758 VanDerWaalsContact C-N 3.32Å; E756-F758 PolarHBondContact O-N 3.02Å; E756-A759 PolarHBondContact O-N 3.05Å; E756-Q760 WeakPolarHBondContact O-CG 3.49Å; E756-Q760 PolarHBondContact O-N 3.28Å
757	M	85.6	Confident	77.1	Confident	118 Å²	118	81.6 Å²	81.6	58%	0.581	41%	0.413	S	S	*	.	H	α-helix	trans	-59.1	-47.2	174.9	-75.6	-174.7	-132.9	0	0	110.5	R753 A759 Q760 T761	R753-M757 HydrophobicContact CB-CE 4.03Å; R753-M757 WeakPolarHBondContact O-CB 3.48Å; R753-M757 VanDerWaalsContact O-CG 3.27Å; R753-M757 WeakPolarHBondContact O-CG 3.46Å; R753-M757 PolarHBondContact O-N 2.96Å; M757-A759 PolarHBondContact O-N 3.35Å; M757-Q760 WeakPolarHBondContact O-CB 3.33Å; M757-Q760 PolarHBondContact O-N 3.45Å; M757-Q760 VanDerWaalsContact O-N 3.15Å; M757-T761 PolarHBondContact O-N 2.92Å; M757-T761 PolarHBondContact O-OG1 2.86Å
758	F	82.1	Confident	74.7	Confident	51 Å²	51	91.2 Å²	91.2	22%	0.224	45%	0.454	C	S	.	.	H	α-helix	trans	-63.1	-41.1	-179.6	-173	-93.6	0	0	0	112.6	Y517 P626 K754 Y755 E756 Q760 T761 L762	Y517-F758 HydrophobicContact CD2-CD1 4.16Å; Y517-F758 HydrophobicContact CD2-CE1 4.32Å; Y517-F758 AromaticContact CE2-CD1 3.91Å; Y517-F758 HydrophobicContact CE2-CD1 3.91Å; Y517-F758 HydrophobicContact CE2-CE1 4.28Å; P626-F758 HydrophobicContact CB-CD1 4.01Å; P626-F758 HydrophobicContact CB-CE1 3.27Å; P626-F758 HydrophobicContact CB-CZ 3.58Å; P626-F758 HydrophobicContact CG-CD1 3.55Å; P626-F758 HydrophobicContact CG-CE1 3.37Å; P626-F758 HydrophobicContact CG-CG 4.2Å; P626-F758 HydrophobicContact CG-CZ 3.91Å; P626-F758 WeakPolarHBondContact O-CZ 3.46Å; K754-F758 WeakPolarHBondContact O-CB 3.49Å; K754-F758 PolarHBondContact O-N 2.77Å; Y755-F758 PolarHBondContact O-N 3.38Å; E756-F758 VanDerWaalsContact C-N 3.32Å; E756-F758 PolarHBondContact O-N 3.02Å; F758-Q760 VanDerWaalsContact C-N 3.29Å; F758-Q760 PolarHBondContact O-N 2.89Å; F758-T761 PolarHBondContact O-N 3.47Å; F758-L762 HydrophobicContact CD1-CD1 3.67Å; F758-L762 HydrophobicContact CD1-CG 4.26Å; F758-L762 HydrophobicContact CE1-CD1 3.06Å; F758-L762 HydrophobicContact CE1-CG 3.78Å; F758-L762 HydrophobicContact CZ-CD1 3.7Å; F758-L762 HydrophobicContact CZ-CG 4.04Å; F758-L762 WeakPolarHBondContact O-CB 3.3Å; F758-L762 PolarHBondContact O-N 3.06Å
759	A	81.5	Confident	72.1	Confident	9 Å²	9	92.1 Å²	92.1	7%	0.074	47%	0.472	C	S	.	.	H	α-helix	trans	-60.6	-39.9	173.9	0	0	0	0	0	111.4	Y517 Y644 Y755 E756 M757 Q763	Y517-A759 HydrophobicContact CE2-CB 4.28Å; Y644-A759 HydrophobicContact CD1-CB 4.24Å; Y644-A759 HydrophobicContact CG-CB 4.22Å; Y755-A759 WeakPolarHBondContact O-CB 3.34Å; Y755-A759 PolarHBondContact O-N 3.37Å; E756-A759 PolarHBondContact O-N 3.05Å; M757-A759 PolarHBondContact O-N 3.35Å; A759-Q763 WeakPolarHBondContact O-CB 3.44Å; A759-Q763 VanDerWaalsContact O-CG 3.32Å; A759-Q763 WeakPolarHBondContact O-CG 3.23Å; A759-Q763 PolarHBondContact O-N 2.9Å
760	Q	79.9	Confident	69.8	Low	116 Å²	116	93.3 Å²	93.3	54%	0.542	49%	0.487	S	S	.	.	H	α-helix	trans	-66.5	-44.8	174.4	-72.6	-180	6.3	0	0	112.6	E756 M757 F758 L762 Q763 Q764	E756-Q760 WeakPolarHBondContact O-CG 3.49Å; E756-Q760 PolarHBondContact O-N 3.28Å; M757-Q760 WeakPolarHBondContact O-CB 3.33Å; M757-Q760 PolarHBondContact O-N 3.45Å; M757-Q760 VanDerWaalsContact O-N 3.15Å; F758-Q760 VanDerWaalsContact C-N 3.29Å; F758-Q760 PolarHBondContact O-N 2.89Å; Q760-L762 VanDerWaalsContact C-N 3.34Å; Q760-L762 PolarHBondContact O-N 3.31Å; Q760-Q763 PolarHBondContact O-N 2.78Å; Q760-Q764 WeakPolarHBondContact O-CB 3.43Å; Q760-Q764 VanDerWaalsContact O-CG 3.3Å; Q760-Q764 WeakPolarHBondContact O-CG 3.15Å; Q760-Q764 PolarHBondContact O-N 3.37Å
761	T	79.1	Confident	67.6	Low	84 Å²	84	95.7 Å²	95.7	52%	0.515	49%	0.492	S	S	.	.	H	α-helix	trans	-65.5	-37.7	179.2	-2.1	0	0	0	0	112.1	M757 F758 Q764 S765	M757-T761 PolarHBondContact O-N 2.92Å; M757-T761 PolarHBondContact O-OG1 2.86Å; F758-T761 PolarHBondContact O-N 3.47Å; T761-Q764 PolarHBondContact O-N 2.87Å; T761-S765 PolarHBondContact O-N 3.31Å; T761-S765 PolarHBondContact O-OG 3.14Å
762	L	67.2	Low	65.8	Low	27 Å²	27	103.3 Å²	103.3	14%	0.141	52%	0.517	C	S	.	.	H	α-helix	trans	-68.3	-35.2	174.7	-89.6	178.9	0	0	0	113.1	Y517 L642 F758 Q760 S765	Y517-L762 HydrophobicContact CE1-CD1 4.23Å; Y517-L762 HydrophobicContact CE2-CD1 4.38Å; L642-L762 HydrophobicContact CD1-CD1 3.81Å; L642-L762 HydrophobicContact CD1-CD2 3.54Å; L642-L762 HydrophobicContact CD1-CG 4.21Å; F758-L762 HydrophobicContact CD1-CD1 3.67Å; F758-L762 HydrophobicContact CD1-CG 4.26Å; F758-L762 HydrophobicContact CE1-CD1 3.06Å; F758-L762 HydrophobicContact CE1-CG 3.78Å; F758-L762 HydrophobicContact CZ-CD1 3.7Å; F758-L762 HydrophobicContact CZ-CG 4.04Å; F758-L762 WeakPolarHBondContact O-CB 3.3Å; F758-L762 PolarHBondContact O-N 3.06Å; Q760-L762 VanDerWaalsContact C-N 3.34Å; Q760-L762 PolarHBondContact O-N 3.31Å; L762-S765 PolarHBondContact O-OG 2.97Å
763	Q	59.9	Low	63.9	Low	141 Å²	141	110 Å²	110	66%	0.659	55%	0.545	S	S	*	.	H	α-helix	trans	-69.6	-37.1	172.3	-76.3	179.4	-3.7	0	0	111.4	A759 Q760 R766 G767	A759-Q763 WeakPolarHBondContact O-CB 3.44Å; A759-Q763 VanDerWaalsContact O-CG 3.32Å; A759-Q763 WeakPolarHBondContact O-CG 3.23Å; A759-Q763 PolarHBondContact O-N 2.9Å; Q760-Q763 PolarHBondContact O-N 2.78Å; Q763-R766 PolarHBondContact O-N 3.19Å; Q763-G767 PolarHBondContact O-N 2.98Å
764	Q	55.4	Low	62	Low	140 Å²	140	108.9 Å²	108.9	65%	0.654	56%	0.557	S	S	*	*	H	α-helix	trans	-71.6	-34.8	178	-74.1	178.4	14.9	0	0	113.3	Q760 T761 R766 G767	Q760-Q764 WeakPolarHBondContact O-CB 3.43Å; Q760-Q764 VanDerWaalsContact O-CG 3.3Å; Q760-Q764 WeakPolarHBondContact O-CG 3.15Å; Q760-Q764 PolarHBondContact O-N 3.37Å; T761-Q764 PolarHBondContact O-N 2.87Å; Q764-R766 PolarHBondContact O-N 3.27Å; Q764-R766 VanDerWaalsContact O-N 3.14Å; Q764-G767 PolarHBondContact O-N 2.99Å
765	S	53.3	Low	60	Low	91 Å²	91	108 Å²	108	64%	0.636	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-13.2	173.9	67	0	0	0	0	113.3	T761 L762	T761-S765 PolarHBondContact O-N 3.31Å; T761-S765 PolarHBondContact O-OG 3.14Å; L762-S765 PolarHBondContact O-OG 2.97Å
766	R	51.2	Low	57.8	Low	143 Å²	143	112.3 Å²	112.3	54%	0.54	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.2	-7.3	173.4	-62.7	-170.5	122.7	-177.6	1.4	114.3	D640 Q763 Q764	D640-R766 VanDerWaalsContact O-CZ 3.24Å; D640-R766 PolarHBondContact O-NH1 2.93Å; D640-R766 VanDerWaalsContact O-NH1 3.17Å; D640-R766 PolarHBondContact O-NH2 3.42Å; Q763-R766 PolarHBondContact O-N 3.19Å; Q764-R766 PolarHBondContact O-N 3.27Å; Q764-R766 VanDerWaalsContact O-N 3.14Å
767	G	38.8	Very low	55.6	Low	50 Å²	50	112.3 Å²	112.3	52%	0.515	62%	0.619	S	S	.	*			trans	-96	96.4	-172.7	0	0	0	0	0	113.8	Q763 Q764 G769	Q763-G767 PolarHBondContact O-N 2.98Å; Q764-G767 PolarHBondContact O-N 2.99Å; G767-G769 PolarHBondContact O-N 3.12Å
768	F	39.4	Very low	53.5	Low	206 Å²	206	111.5 Å²	111.5	90%	0.904	63%	0.631	S	S	*	*			trans	-61.5	126.1	146.4	-92.1	-91.2	0	0	0	107.5	S770	F768-S770 PolarHBondContact O-N 3.24Å
769	G	37.3	Very low	51.4	Low	70 Å²	70	113.1 Å²	113.1	72%	0.722	66%	0.662	S	S	*	*	S	Bend	trans	-51.6	131.6	-179.2	0	0	0	0	0	112	G767 F771	G767-G769 PolarHBondContact O-N 3.12Å; G769-F771 PolarHBondContact O-N 3.17Å
770	S	41.8	Very low	49.1	Very low	109 Å²	109	116 Å²	116	76%	0.762	69%	0.693	S	S	*	*			trans	9.5	75.2	167.7	177.4	0	0	0	0	114.9	F768 R772	F768-S770 PolarHBondContact O-N 3.24Å; S770-R772 PolarHBondContact O-N 3.05Å
771	F	42.4	Very low	46.8	Very low	160 Å²	160	116.4 Å²	116.4	70%	0.702	71%	0.708	S	S	*	*			trans	-75.4	105.4	169.9	-173.4	-94.9	0	0	0	108.3	G769 F773	G769-F771 PolarHBondContact O-N 3.17Å; F771-F773 HydrophobicContact CE1-CD1 4.42Å; F771-F773 HydrophobicContact CE1-CD2 4.04Å; F771-F773 HydrophobicContact CE1-CE1 4.26Å; F771-F773 AromaticContact CE1-CE2 3.87Å; F771-F773 HydrophobicContact CE1-CE2 3.87Å; F771-F773 HydrophobicContact CE1-CG 4.32Å; F771-F773 AromaticContact CE1-CZ 3.98Å; F771-F773 HydrophobicContact CE1-CZ 3.98Å; F771-F773 HydrophobicContact CZ-CE1 4.45Å
772	R	50.1	Low	44.5	Very low	217 Å²	217	115.9 Å²	115.9	82%	0.819	72%	0.72	S	S	*	*			trans	-108.9	131.5	164	-78.4	-175.2	175.6	179.2	-0.8	107.6	S770	S770-R772 PolarHBondContact O-N 3.05Å
773	F	48.1	Very low	43.4	Very low	170 Å²	170	120.6 Å²	120.6	75%	0.746	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-55.3	136.7	166.6	-82.4	-82	0	0	0	109	F771 S775	F771-F773 HydrophobicContact CE1-CD1 4.42Å; F771-F773 HydrophobicContact CE1-CD2 4.04Å; F771-F773 HydrophobicContact CE1-CE1 4.26Å; F771-F773 AromaticContact CE1-CE2 3.87Å; F771-F773 HydrophobicContact CE1-CE2 3.87Å; F771-F773 HydrophobicContact CE1-CG 4.32Å; F771-F773 AromaticContact CE1-CZ 3.98Å; F771-F773 HydrophobicContact CE1-CZ 3.98Å; F771-F773 HydrophobicContact CZ-CE1 4.45Å; F773-S775 PolarHBondContact O-N 2.89Å
774	P	48.9	Very low	42	Very low	123 Å²	123	118.4 Å²	118.4	80%	0.799	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-59.9	116.7	171.8	-4.8	13.6	0	0	0	108	S776	P774-S776 PolarHBondContact O-N 3.35Å
775	S	45.5	Very low	40.9	Very low	111 Å²	111	120.2 Å²	120.2	78%	0.776	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-61.3	122.4	168.1	51.9	0	0	0	0	108	F773 A777	F773-S775 PolarHBondContact O-N 2.89Å; S775-A777 PolarHBondContact O-N 2.92Å
776	S	40.8	Very low	39.8	Very low	122 Å²	122	120.3 Å²	120.3	85%	0.853	76%	0.761	S	S	*	*			trans	-59.2	100.4	171.2	40.9	0	0	0	0	109.5	P774 A778	P774-S776 PolarHBondContact O-N 3.35Å; S776-A778 PolarHBondContact O-N 3.4Å; S776-A778 VanDerWaalsContact O-N 3.12Å
777	A	39.5	Very low	38.8	Very low	101 Å²	101	119 Å²	119	84%	0.835	77%	0.774	S	S	*	*			trans	-71.7	103.7	172.4	0	0	0	0	0	109.1	S775	S775-A777 PolarHBondContact O-N 2.92Å
778	A	42.1	Very low	38.4	Very low	101 Å²	101	120.8 Å²	120.8	84%	0.835	79%	0.792	S	S	*	*			trans	-75.9	118.6	162.4	0	0	0	0	0	109.7	S776	S776-A778 PolarHBondContact O-N 3.4Å; S776-A778 VanDerWaalsContact O-N 3.12Å
779	G	36.8	Very low	37.9	Very low	84 Å²	84	114 Å²	114	87%	0.866	78%	0.78	S	S	*	*			trans	70.5	116.7	145.6	0	0	0	0	0	119.7
780	G	32.9	Very low	37.7	Very low	71 Å²	71	118 Å²	118	73%	0.732	79%	0.791	S	S	*	*			trans	147.5	98.7	147.6	0	0	0	0	0	117.3
781	S	32.8	Very low	37.1	Very low	124 Å²	124	116.4 Å²	116.4	87%	0.867	79%	0.792	S	S	*	*			trans	52.2	122.3	145.5	53	0	0	0	0	121.3
782	G	30.8	Very low	36.7	Very low	73 Å²	73	114.7 Å²	114.7	75%	0.753	80%	0.799	S	S	*	*			trans	-66.6	-171.1	172.1	0	0	0	0	0	115.7
783	P	42.5	Very low	35.9	Very low	126 Å²	126	107.7 Å²	107.7	82%	0.818	80%	0.795	S	S	*	*				-141.5	167.1	57.6	35.2	-14.9	0	0	0	117.9
784	S	31.7	Very low	35.5	Very low	94 Å²	94	105.8 Å²	105.8	66%	0.657	80%	0.799	S	S	*	*			trans	-7.8	134.5	161.1	56.7	0	0	0	0	122.2
785	H	32.7	Very low	34.8	Very low	178 Å²	178	105.9 Å²	105.9	82%	0.824	80%	0.797	S	S	*	*				-167.2	133	114.6	-106.1	-60.9	0	0	0	114.2
786	S	29.1	Very low	34.1	Very low	94 Å²	94	109.8 Å²	109.8	66%	0.657	80%	0.801	S	S	*	*			trans	-13.4	153.9	148.9	50.4	0	0	0	0	118.1
787	S	30.8	Very low	33.6	Very low	116 Å²	116	110.3 Å²	110.3	81%	0.811	79%	0.794	S	S	*	*			cis	-177.1	151.9	23.6	33.7	0	0	0	0	111.2
788	G	29.4	Very low	33.4	Very low	86 Å²	86	114.2 Å²	114.2	89%	0.887	80%	0.795	S	S	*	*			trans	78	135	148.8	0	0	0	0	0	117
789	G	29.6	Very low	32.9	Very low	65 Å²	65	117.4 Å²	117.4	67%	0.67	80%	0.798	S	S	*	*			cis	173.5	161.5	6.8	0	0	0	0	0	109.3
790	T	32.6	Very low	32.8	Very low	153 Å²	153	120.6 Å²	120.6	94%	0.939	80%	0.796	S	S	*	*			trans	60.7	124.5	164.3	58.2	0	0	0	0	117.9
791	G	30.9	Very low	33	Very low	76 Å²	76	124.5 Å²	124.5	78%	0.784	80%	0.799	S	S	*	*			cis	114.2	89.8	16.3	0	0	0	0	0	110.9
792	S	33.2	Very low	33.4	Very low	123 Å²	123	125.4 Å²	125.4	86%	0.86	80%	0.795	S	S	*	*			trans	-175.5	109.6	150	54.9	0	0	0	0	111.1
793	G	32.1	Very low	34.1	Very low	70 Å²	70	129.1 Å²	129.1	72%	0.722	80%	0.797	S	S	*	*			trans	-72	-174.5	157.7	0	0	0	0	0	111.3
794	P	41	Very low	34.3	Very low	130 Å²	130	130.7 Å²	130.7	84%	0.844	80%	0.798	S	S	*	*				-135.5	158.9	55	31.7	-12.5	0	0	0	115.9
795	V	34.6	Very low	34.8	Very low	125 Å²	125	137.1 Å²	137.1	76%	0.758	81%	0.809	S	S	*	*			trans	-78	141.1	164.4	172.9	0	0	0	0	108.8
796	F	29.8	Very low	35.2	Very low	193 Å²	193	135.9 Å²	135.9	85%	0.846	85%	0.845	S	S	*	*			trans	-145.2	113.6	152.2	-114.8	-83.2	0	0	0	111.4
797	N	30.8	Very low	35.5	Very low	134 Å²	134	138 Å²	138	72%	0.717	85%	0.854	S	S	*	*			trans	18.1	135.9	154.1	-68.9	0.3	0	0	0	124.2
798	E	34.1	Very low	35.8	Very low	183 Å²	183	139.1 Å²	139.1	86%	0.855	86%	0.856	S	S	*	*			trans	-41	139.1	145.7	-66.8	166.7	142.6	0	0	113.7
799	D	33.3	Very low	36.1	Very low	168 Å²	168	142.1 Å²	142.1	90%	0.898	86%	0.855	S	S	*	*			trans	-136.9	124.1	139.6	-90	-36.4	0	0	0	108
800	N	34.4	Very low	36.5	Very low	151 Å²	151	146.6 Å²	146.6	81%	0.807	87%	0.865	S	S	*	*			trans	-64.9	145.6	160	-86.6	-30.6	0	0	0	108.8
801	D	37.8	Very low	36.8	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	86%	0.861	S	S	*	*			trans	-166.9	114.4	135.2	-92.7	-18.9	0	0	0	110.1
802	D	39.6	Very low	37.2	Very low	143 Å²	143	150.9 Å²	150.9	77%	0.765	87%	0.866	S	S	*	*			trans	42.8	117.3	134.5	-66.7	-11.2	0	0	0	122.3
803	D	46.2	Very low	37.4	Very low	152 Å²	152	152.9 Å²	152.9	81%	0.813	87%	0.866	S	S	*	*				16.9	115.4	121.7	-73	-23.5	0	0	0	118.3
804	L	45.8	Very low	37.8	Very low	158 Å²	158	159.2 Å²	159.2	83%	0.827	88%	0.878	S	S	*	*				-175.4	122.7	120.2	-136.4	66.2	0	0	0	112.9
805	Y	43.6	Very low	37.6	Very low	229 Å²	229	161.7 Å²	161.7	90%	0.898	88%	0.88	S	S	*	*			trans	21.8	130	153.4	-76	-89.2	0	0	0	122.5
806	G	41.1	Very low	37.9	Very low	152 Å²	152	165 Å²	165	100%	1.567	89%	0.892	S	S	*	*			trans	-169.1	0	155.6	0	0	0	0	0	111.6

Retrieved 806 of 806 residues in 252.5 ms (Link to these results)

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